USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 ASN : amide:sc= -0.182 K(o=-0.23,f=-1.7!) USER MOD Set 1.2: A 74 TYR OH : rot 168:sc= -0.0456 USER MOD Set 2.1: A 70 ASN : amide:sc= 2.16 K(o=3.4,f=-6.3!) USER MOD Set 2.2: A 73 LYS NZ :NH3+ -160:sc= 1.22 (180deg=0) USER MOD Set 3.1: A 39 GLN : amide:sc= 0.939 K(o=2.3,f=-0.14) USER MOD Set 3.2: A 56 ASN : amide:sc= 1.36 K(o=2.3,f=-0.1) USER MOD Set 4.1: A 19 THR OG1 : rot -113:sc= 1.49 USER MOD Set 4.2: A 31 ASN : amide:sc= 2.51 K(o=4,f=-5.3!) USER MOD Set 5.1: A 1 GLY N :NH3+ -165:sc= 1.25 (180deg=0) USER MOD Set 5.2: A 96 THR OG1 : rot 88:sc= 2.28 USER MOD Single : A 2 SER OG : rot -62:sc= 1.25 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 139:sc= 1.09 (180deg=0.165) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0132 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -74:sc= 1.17 USER MOD Single : A 14 CYS SG : rot -160:sc= -0.762 USER MOD Single : A 16 GLN : amide:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 1.05 K(o=1.1,f=-4.1!) USER MOD Single : A 26 HIS : no HD1:sc= -0.161 K(o=-0.16,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 1.13 (180deg=1.13) USER MOD Single : A 33 HIS : no HE2:sc= 0.835 K(o=0.84,f=-2.6!) USER MOD Single : A 40 SER OG : rot -180:sc= 1.78 USER MOD Single : A 46 TYR OH : rot -173:sc= 1.36 USER MOD Single : A 47 SER OG : rot 47:sc= 0.407 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 175:sc= 2.07 USER MOD Single : A 52 ASN : amide:sc= -0.394 K(o=-0.39,f=-4.3!) USER MOD Single : A 54 LYS NZ :NH3+ -143:sc= 0.377 (180deg=-0.999!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 MET CE :methyl 176:sc= -0.0158 (180deg=-0.0628) USER MOD Single : A 65 SER OG : rot 75:sc= 1.15 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 3:sc= 0.926 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.699 USER MOD Single : A 79 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.063) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.0919 K(o=-0.092,f=-1.5) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 154:sc= 0.715 (180deg=-2.63!) USER MOD Single : A 100 LYS NZ :NH3+ -163:sc= 2.21 (180deg=1.74) USER MOD Single : A 102 SER OG : rot 180:sc= -0.119 USER MOD ----------------------------------------------------------------- ATOM 42 N GLY A 1 -2.945 2.441 -15.563 1.00 0.00 N ATOM 43 CA GLY A 1 -3.912 3.502 -15.778 1.00 0.00 C ATOM 44 C GLY A 1 -3.146 4.799 -16.035 1.00 0.00 C ATOM 45 O GLY A 1 -2.140 4.787 -16.745 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.419 1.519 -15.639 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.195 2.505 -16.280 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.527 2.539 -14.616 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.554 3.265 -16.626 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.560 3.609 -14.908 1.00 0.00 H new ATOM 46 N SER A 2 -3.590 5.914 -15.451 1.00 0.00 N ATOM 47 CA SER A 2 -2.930 7.207 -15.589 1.00 0.00 C ATOM 48 C SER A 2 -2.003 7.484 -14.397 1.00 0.00 C ATOM 49 O SER A 2 -2.171 6.925 -13.316 1.00 0.00 O ATOM 50 CB SER A 2 -3.980 8.302 -15.825 1.00 0.00 C ATOM 51 OG SER A 2 -4.913 8.416 -14.770 1.00 0.00 O ATOM 0 H SER A 2 -4.425 5.942 -14.865 1.00 0.00 H new ATOM 0 HA SER A 2 -2.280 7.199 -16.464 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.474 9.258 -15.959 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.513 8.091 -16.752 1.00 0.00 H new ATOM 0 HG SER A 2 -5.410 7.576 -14.680 1.00 0.00 H new ATOM 52 N ALA A 3 -0.975 8.315 -14.619 1.00 0.00 N ATOM 53 CA ALA A 3 -0.004 8.679 -13.590 1.00 0.00 C ATOM 54 C ALA A 3 -0.605 9.690 -12.615 1.00 0.00 C ATOM 55 O ALA A 3 -0.473 9.554 -11.401 1.00 0.00 O ATOM 56 CB ALA A 3 1.247 9.265 -14.246 1.00 0.00 C ATOM 0 H ALA A 3 -0.797 8.753 -15.523 1.00 0.00 H new ATOM 0 HA ALA A 3 0.266 7.782 -13.032 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.969 9.535 -13.476 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.688 8.525 -14.913 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.976 10.153 -14.817 1.00 0.00 H new ATOM 57 N LYS A 4 -1.250 10.727 -13.156 1.00 0.00 N ATOM 58 CA LYS A 4 -2.074 11.621 -12.358 1.00 0.00 C ATOM 59 C LYS A 4 -3.386 10.897 -12.030 1.00 0.00 C ATOM 60 O LYS A 4 -3.535 9.732 -12.383 1.00 0.00 O ATOM 61 CB LYS A 4 -2.307 12.938 -13.116 1.00 0.00 C ATOM 62 CG LYS A 4 -0.978 13.651 -13.410 1.00 0.00 C ATOM 63 CD LYS A 4 -1.167 14.979 -14.161 1.00 0.00 C ATOM 64 CE LYS A 4 -1.862 16.049 -13.302 1.00 0.00 C ATOM 65 NZ LYS A 4 -1.897 17.367 -13.973 1.00 0.00 N ATOM 0 H LYS A 4 -1.213 10.964 -14.147 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.577 11.881 -11.423 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.829 12.735 -14.051 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.951 13.591 -12.527 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.458 13.841 -12.471 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.341 12.993 -14.000 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.195 15.352 -14.483 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.755 14.803 -15.062 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.880 15.729 -13.079 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.342 16.142 -12.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.374 18.057 -13.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.925 17.686 -14.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.416 17.286 -14.870 1.00 0.00 H new ATOM 66 N LYS A 5 -4.322 11.564 -11.342 1.00 0.00 N ATOM 67 CA LYS A 5 -5.649 11.066 -10.964 1.00 0.00 C ATOM 68 C LYS A 5 -5.512 10.089 -9.798 1.00 0.00 C ATOM 69 O LYS A 5 -6.025 10.331 -8.706 1.00 0.00 O ATOM 70 CB LYS A 5 -6.408 10.517 -12.190 1.00 0.00 C ATOM 71 CG LYS A 5 -7.830 10.020 -11.901 1.00 0.00 C ATOM 72 CD LYS A 5 -8.619 10.023 -13.221 1.00 0.00 C ATOM 73 CE LYS A 5 -9.963 9.287 -13.117 1.00 0.00 C ATOM 74 NZ LYS A 5 -9.820 7.836 -13.354 1.00 0.00 N ATOM 0 H LYS A 5 -4.164 12.518 -11.017 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.275 11.883 -10.604 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.459 11.299 -12.947 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.832 9.696 -12.618 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.803 9.016 -11.477 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.315 10.663 -11.167 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.798 11.053 -13.529 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.015 9.558 -14.000 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.391 9.452 -12.128 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.662 9.705 -13.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.414 7.314 -12.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.119 7.612 -14.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.826 7.560 -13.226 1.00 0.00 H new ATOM 75 N GLY A 6 -4.711 9.047 -10.003 1.00 0.00 N ATOM 76 CA GLY A 6 -4.231 8.160 -8.959 1.00 0.00 C ATOM 77 C GLY A 6 -3.632 8.957 -7.796 1.00 0.00 C ATOM 78 O GLY A 6 -3.779 8.575 -6.638 1.00 0.00 O ATOM 0 H GLY A 6 -4.370 8.793 -10.930 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.052 7.541 -8.596 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.479 7.485 -9.367 1.00 0.00 H new ATOM 79 N ALA A 7 -2.995 10.095 -8.099 1.00 0.00 N ATOM 80 CA ALA A 7 -2.490 11.031 -7.106 1.00 0.00 C ATOM 81 C ALA A 7 -3.618 11.534 -6.208 1.00 0.00 C ATOM 82 O ALA A 7 -3.543 11.442 -4.986 1.00 0.00 O ATOM 83 CB ALA A 7 -1.797 12.201 -7.812 1.00 0.00 C ATOM 0 H ALA A 7 -2.817 10.389 -9.059 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.767 10.518 -6.472 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.419 12.902 -7.068 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.968 11.825 -8.411 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.511 12.709 -8.460 1.00 0.00 H new ATOM 84 N THR A 8 -4.675 12.075 -6.812 1.00 0.00 N ATOM 85 CA THR A 8 -5.818 12.609 -6.098 1.00 0.00 C ATOM 86 C THR A 8 -6.456 11.500 -5.261 1.00 0.00 C ATOM 87 O THR A 8 -6.818 11.705 -4.103 1.00 0.00 O ATOM 88 CB THR A 8 -6.794 13.169 -7.138 1.00 0.00 C ATOM 89 OG1 THR A 8 -6.069 13.918 -8.099 1.00 0.00 O ATOM 90 CG2 THR A 8 -7.861 14.056 -6.492 1.00 0.00 C ATOM 0 H THR A 8 -4.756 12.152 -7.826 1.00 0.00 H new ATOM 0 HA THR A 8 -5.527 13.407 -5.415 1.00 0.00 H new ATOM 0 HB THR A 8 -7.303 12.332 -7.615 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.688 14.278 -8.768 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.534 14.434 -7.261 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.429 13.473 -5.767 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.381 14.894 -5.987 1.00 0.00 H new ATOM 91 N LEU A 9 -6.570 10.309 -5.846 1.00 0.00 N ATOM 92 CA LEU A 9 -7.125 9.147 -5.195 1.00 0.00 C ATOM 93 C LEU A 9 -6.293 8.807 -3.957 1.00 0.00 C ATOM 94 O LEU A 9 -6.830 8.732 -2.858 1.00 0.00 O ATOM 95 CB LEU A 9 -7.169 8.004 -6.215 1.00 0.00 C ATOM 96 CG LEU A 9 -8.540 7.781 -6.870 1.00 0.00 C ATOM 97 CD1 LEU A 9 -9.571 7.289 -5.852 1.00 0.00 C ATOM 98 CD2 LEU A 9 -9.057 9.025 -7.598 1.00 0.00 C ATOM 0 H LEU A 9 -6.270 10.132 -6.805 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.142 9.331 -4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.436 8.204 -6.997 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.863 7.082 -5.721 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.395 7.005 -7.622 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.530 7.141 -6.348 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.236 6.345 -5.422 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.682 8.030 -5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.029 8.809 -8.042 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.156 9.847 -6.889 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.354 9.306 -8.383 1.00 0.00 H new ATOM 99 N PHE A 10 -4.977 8.659 -4.118 1.00 0.00 N ATOM 100 CA PHE A 10 -4.053 8.473 -3.007 1.00 0.00 C ATOM 101 C PHE A 10 -4.304 9.521 -1.924 1.00 0.00 C ATOM 102 O PHE A 10 -4.495 9.186 -0.752 1.00 0.00 O ATOM 103 CB PHE A 10 -2.611 8.542 -3.515 1.00 0.00 C ATOM 104 CG PHE A 10 -1.566 8.415 -2.426 1.00 0.00 C ATOM 105 CD1 PHE A 10 -1.159 7.139 -2.005 1.00 0.00 C ATOM 106 CD2 PHE A 10 -1.023 9.561 -1.815 1.00 0.00 C ATOM 107 CE1 PHE A 10 -0.241 7.006 -0.948 1.00 0.00 C ATOM 108 CE2 PHE A 10 -0.126 9.427 -0.741 1.00 0.00 C ATOM 109 CZ PHE A 10 0.240 8.148 -0.288 1.00 0.00 C ATOM 0 H PHE A 10 -4.523 8.665 -5.031 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.218 7.490 -2.566 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.456 7.749 -4.247 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.465 9.489 -4.035 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.551 6.259 -2.493 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.296 10.543 -2.171 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.094 6.025 -0.644 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.282 10.306 -0.264 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.891 8.044 0.567 1.00 0.00 H new ATOM 110 N LYS A 11 -4.331 10.792 -2.334 1.00 0.00 N ATOM 111 CA LYS A 11 -4.533 11.909 -1.422 1.00 0.00 C ATOM 112 C LYS A 11 -5.857 11.787 -0.659 1.00 0.00 C ATOM 113 O LYS A 11 -5.915 12.150 0.514 1.00 0.00 O ATOM 114 CB LYS A 11 -4.395 13.244 -2.169 1.00 0.00 C ATOM 115 CG LYS A 11 -2.922 13.508 -2.519 1.00 0.00 C ATOM 116 CD LYS A 11 -2.699 14.828 -3.272 1.00 0.00 C ATOM 117 CE LYS A 11 -3.026 16.047 -2.394 1.00 0.00 C ATOM 118 NZ LYS A 11 -2.560 17.314 -2.999 1.00 0.00 N ATOM 0 H LYS A 11 -4.213 11.070 -3.308 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.750 11.881 -0.664 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.994 13.223 -3.079 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.781 14.056 -1.552 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.335 13.519 -1.601 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.548 12.684 -3.127 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.663 14.887 -3.604 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.322 14.846 -4.166 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.103 16.098 -2.233 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.563 15.922 -1.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.802 18.108 -2.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.529 17.278 -3.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.021 17.448 -3.922 1.00 0.00 H new ATOM 119 N THR A 12 -6.909 11.273 -1.301 1.00 0.00 N ATOM 120 CA THR A 12 -8.229 11.130 -0.692 1.00 0.00 C ATOM 121 C THR A 12 -8.504 9.714 -0.157 1.00 0.00 C ATOM 122 O THR A 12 -9.638 9.434 0.231 1.00 0.00 O ATOM 123 CB THR A 12 -9.309 11.594 -1.683 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.190 10.919 -2.918 1.00 0.00 O ATOM 125 CG2 THR A 12 -9.208 13.102 -1.937 1.00 0.00 C ATOM 0 H THR A 12 -6.866 10.943 -2.265 1.00 0.00 H new ATOM 0 HA THR A 12 -8.257 11.772 0.188 1.00 0.00 H new ATOM 0 HB THR A 12 -10.275 11.363 -1.235 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.415 11.266 -3.407 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.983 13.405 -2.641 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.341 13.639 -0.998 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.228 13.336 -2.353 1.00 0.00 H new ATOM 126 N ARG A 13 -7.500 8.828 -0.098 1.00 0.00 N ATOM 127 CA ARG A 13 -7.665 7.483 0.454 1.00 0.00 C ATOM 128 C ARG A 13 -6.509 7.125 1.383 1.00 0.00 C ATOM 129 O ARG A 13 -6.720 6.825 2.554 1.00 0.00 O ATOM 130 CB ARG A 13 -7.810 6.429 -0.663 1.00 0.00 C ATOM 131 CG ARG A 13 -9.070 6.652 -1.514 1.00 0.00 C ATOM 132 CD ARG A 13 -9.473 5.355 -2.240 1.00 0.00 C ATOM 133 NE ARG A 13 -10.637 5.509 -3.139 1.00 0.00 N ATOM 134 CZ ARG A 13 -11.865 5.921 -2.795 1.00 0.00 C ATOM 135 NH1 ARG A 13 -12.184 6.127 -1.513 1.00 0.00 N ATOM 136 NH2 ARG A 13 -12.773 6.103 -3.755 1.00 0.00 N ATOM 0 H ARG A 13 -6.556 9.026 -0.431 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.586 7.481 1.038 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.930 6.460 -1.305 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.845 5.434 -0.219 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.889 6.989 -0.879 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.887 7.441 -2.243 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.623 4.996 -2.820 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.698 4.589 -1.498 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.490 5.278 -4.122 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.489 5.971 -0.783 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.122 6.441 -1.265 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.527 5.929 -4.729 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.714 6.416 -3.515 1.00 0.00 H new ATOM 137 N CYS A 14 -5.293 7.099 0.844 1.00 0.00 N ATOM 138 CA CYS A 14 -4.152 6.433 1.453 1.00 0.00 C ATOM 139 C CYS A 14 -3.400 7.410 2.352 1.00 0.00 C ATOM 140 O CYS A 14 -3.025 7.072 3.477 1.00 0.00 O ATOM 141 CB CYS A 14 -3.239 5.906 0.376 1.00 0.00 C ATOM 142 SG CYS A 14 -4.075 5.100 -1.026 1.00 0.00 S ATOM 0 H CYS A 14 -5.072 7.549 -0.044 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.503 5.598 2.060 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.640 6.732 -0.006 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.548 5.192 0.825 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.231 4.337 -1.654 1.00 0.00 H new ATOM 143 N LEU A 15 -3.194 8.632 1.845 1.00 0.00 N ATOM 144 CA LEU A 15 -2.463 9.705 2.513 1.00 0.00 C ATOM 145 C LEU A 15 -2.920 9.885 3.960 1.00 0.00 C ATOM 146 O LEU A 15 -2.101 10.173 4.831 1.00 0.00 O ATOM 147 CB LEU A 15 -2.636 10.997 1.704 1.00 0.00 C ATOM 148 CG LEU A 15 -2.030 12.239 2.383 1.00 0.00 C ATOM 149 CD1 LEU A 15 -1.083 12.985 1.438 1.00 0.00 C ATOM 150 CD2 LEU A 15 -3.139 13.190 2.852 1.00 0.00 C ATOM 0 H LEU A 15 -3.545 8.906 0.927 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.406 9.444 2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.174 10.867 0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.699 11.169 1.534 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.459 11.895 3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.672 13.856 1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.270 12.323 1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.632 13.308 0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.693 14.062 3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.731 13.509 1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.782 12.675 3.566 1.00 0.00 H new ATOM 151 N GLN A 16 -4.218 9.710 4.214 1.00 0.00 N ATOM 152 CA GLN A 16 -4.803 9.598 5.544 1.00 0.00 C ATOM 153 C GLN A 16 -3.843 8.900 6.519 1.00 0.00 C ATOM 154 O GLN A 16 -3.477 9.462 7.550 1.00 0.00 O ATOM 155 CB GLN A 16 -6.122 8.815 5.412 1.00 0.00 C ATOM 156 CG GLN A 16 -6.904 8.703 6.729 1.00 0.00 C ATOM 157 CD GLN A 16 -8.068 7.720 6.621 1.00 0.00 C ATOM 158 OE1 GLN A 16 -8.229 6.842 7.462 1.00 0.00 O ATOM 159 NE2 GLN A 16 -8.894 7.847 5.587 1.00 0.00 N ATOM 0 H GLN A 16 -4.912 9.640 3.470 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.993 10.591 5.951 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.751 9.301 4.666 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.905 7.813 5.042 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.231 8.382 7.524 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.284 9.685 7.010 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.741 8.585 4.900 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.681 7.207 5.481 1.00 0.00 H new ATOM 160 N CYS A 17 -3.438 7.676 6.175 1.00 0.00 N ATOM 161 CA CYS A 17 -2.776 6.742 7.076 1.00 0.00 C ATOM 162 C CYS A 17 -1.295 6.568 6.744 1.00 0.00 C ATOM 163 O CYS A 17 -0.497 6.270 7.640 1.00 0.00 O ATOM 164 CB CYS A 17 -3.465 5.411 6.970 1.00 0.00 C ATOM 165 SG CYS A 17 -5.124 5.480 7.714 1.00 0.00 S ATOM 0 H CYS A 17 -3.567 7.301 5.235 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.839 7.142 8.088 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.543 5.120 5.923 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.869 4.647 7.470 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.697 4.318 7.606 1.00 0.00 H new ATOM 166 N HIS A 18 -0.956 6.709 5.460 1.00 0.00 N ATOM 167 CA HIS A 18 0.360 6.460 4.887 1.00 0.00 C ATOM 168 C HIS A 18 1.076 7.747 4.483 1.00 0.00 C ATOM 169 O HIS A 18 0.541 8.853 4.599 1.00 0.00 O ATOM 170 CB HIS A 18 0.181 5.573 3.650 1.00 0.00 C ATOM 171 CG HIS A 18 -0.170 4.160 4.000 1.00 0.00 C ATOM 172 ND1 HIS A 18 0.746 3.189 4.314 1.00 0.00 N ATOM 173 CD2 HIS A 18 -1.392 3.562 3.876 1.00 0.00 C ATOM 174 CE1 HIS A 18 0.097 2.020 4.357 1.00 0.00 C ATOM 175 NE2 HIS A 18 -1.206 2.194 4.103 1.00 0.00 N ATOM 0 H HIS A 18 -1.631 7.016 4.759 1.00 0.00 H new ATOM 0 HA HIS A 18 0.976 5.974 5.644 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.602 5.992 3.017 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.101 5.581 3.066 1.00 0.00 H new ATOM 0 HD1 HIS A 18 1.742 3.332 4.484 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.326 4.053 3.646 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.560 1.067 4.568 1.00 0.00 H new ATOM 176 N THR A 19 2.296 7.561 3.973 1.00 0.00 N ATOM 177 CA THR A 19 3.083 8.543 3.255 1.00 0.00 C ATOM 178 C THR A 19 3.753 7.869 2.047 1.00 0.00 C ATOM 179 O THR A 19 3.885 6.643 2.017 1.00 0.00 O ATOM 180 CB THR A 19 4.098 9.193 4.208 1.00 0.00 C ATOM 181 OG1 THR A 19 4.860 8.228 4.923 1.00 0.00 O ATOM 182 CG2 THR A 19 3.376 10.131 5.181 1.00 0.00 C ATOM 0 H THR A 19 2.780 6.668 4.060 1.00 0.00 H new ATOM 0 HA THR A 19 2.446 9.341 2.875 1.00 0.00 H new ATOM 0 HB THR A 19 4.798 9.767 3.601 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.635 8.274 5.876 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.103 10.588 5.853 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.861 10.911 4.620 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.650 9.563 5.763 1.00 0.00 H new ATOM 183 N VAL A 20 4.114 8.675 1.038 1.00 0.00 N ATOM 184 CA VAL A 20 4.707 8.238 -0.231 1.00 0.00 C ATOM 185 C VAL A 20 6.104 8.846 -0.442 1.00 0.00 C ATOM 186 O VAL A 20 6.818 8.475 -1.373 1.00 0.00 O ATOM 187 CB VAL A 20 3.739 8.590 -1.385 1.00 0.00 C ATOM 188 CG1 VAL A 20 4.083 9.900 -2.111 1.00 0.00 C ATOM 189 CG2 VAL A 20 3.634 7.445 -2.399 1.00 0.00 C ATOM 0 H VAL A 20 3.996 9.687 1.087 1.00 0.00 H new ATOM 0 HA VAL A 20 4.850 7.158 -0.209 1.00 0.00 H new ATOM 0 HB VAL A 20 2.772 8.741 -0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.358 10.077 -2.906 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.053 10.728 -1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.082 9.826 -2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.946 7.727 -3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.618 7.243 -2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.264 6.550 -1.900 1.00 0.00 H new ATOM 190 N GLU A 21 6.486 9.816 0.394 1.00 0.00 N ATOM 191 CA GLU A 21 7.773 10.485 0.335 1.00 0.00 C ATOM 192 C GLU A 21 8.888 9.525 0.760 1.00 0.00 C ATOM 193 O GLU A 21 8.619 8.528 1.426 1.00 0.00 O ATOM 194 CB GLU A 21 7.692 11.719 1.243 1.00 0.00 C ATOM 195 CG GLU A 21 7.457 11.344 2.716 1.00 0.00 C ATOM 196 CD GLU A 21 6.665 12.419 3.445 1.00 0.00 C ATOM 197 OE1 GLU A 21 7.234 13.512 3.637 1.00 0.00 O ATOM 198 OE2 GLU A 21 5.495 12.124 3.772 1.00 0.00 O ATOM 0 H GLU A 21 5.889 10.160 1.146 1.00 0.00 H new ATOM 0 HA GLU A 21 8.009 10.801 -0.681 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.616 12.291 1.159 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.884 12.366 0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.922 10.396 2.770 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.416 11.197 3.213 1.00 0.00 H new ATOM 216 N PRO A 25 7.140 9.412 7.577 1.00 0.00 N ATOM 217 CA PRO A 25 6.598 8.959 8.844 1.00 0.00 C ATOM 218 C PRO A 25 5.643 7.778 8.632 1.00 0.00 C ATOM 219 O PRO A 25 4.719 7.845 7.814 1.00 0.00 O ATOM 220 CB PRO A 25 5.886 10.176 9.437 1.00 0.00 C ATOM 221 CG PRO A 25 5.467 10.976 8.203 1.00 0.00 C ATOM 222 CD PRO A 25 6.599 10.709 7.209 1.00 0.00 C ATOM 0 HA PRO A 25 7.371 8.593 9.519 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.025 9.884 10.039 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.547 10.752 10.085 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.504 10.643 7.815 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.370 12.038 8.426 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.228 10.703 6.184 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.363 11.484 7.267 1.00 0.00 H new ATOM 223 N HIS A 26 5.848 6.713 9.413 1.00 0.00 N ATOM 224 CA HIS A 26 4.966 5.554 9.469 1.00 0.00 C ATOM 225 C HIS A 26 3.774 5.886 10.375 1.00 0.00 C ATOM 226 O HIS A 26 3.675 5.380 11.488 1.00 0.00 O ATOM 227 CB HIS A 26 5.737 4.328 9.983 1.00 0.00 C ATOM 228 CG HIS A 26 7.067 4.091 9.317 1.00 0.00 C ATOM 229 ND1 HIS A 26 7.292 4.047 7.962 1.00 0.00 N ATOM 230 CD2 HIS A 26 8.241 3.759 9.941 1.00 0.00 C ATOM 231 CE1 HIS A 26 8.558 3.639 7.783 1.00 0.00 C ATOM 232 NE2 HIS A 26 9.174 3.441 8.955 1.00 0.00 N ATOM 0 H HIS A 26 6.652 6.636 10.036 1.00 0.00 H new ATOM 0 HA HIS A 26 4.596 5.314 8.472 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.899 4.442 11.055 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.116 3.443 9.847 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.413 3.746 11.007 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.020 3.490 6.818 1.00 0.00 H new ATOM 0 HE2 HIS A 26 10.132 3.122 9.098 1.00 0.00 H new ATOM 233 N LYS A 27 2.915 6.800 9.916 1.00 0.00 N ATOM 234 CA LYS A 27 1.867 7.417 10.717 1.00 0.00 C ATOM 235 C LYS A 27 0.915 6.384 11.334 1.00 0.00 C ATOM 236 O LYS A 27 1.019 6.070 12.517 1.00 0.00 O ATOM 237 CB LYS A 27 1.097 8.392 9.834 1.00 0.00 C ATOM 238 CG LYS A 27 1.921 9.615 9.428 1.00 0.00 C ATOM 239 CD LYS A 27 1.036 10.612 8.672 1.00 0.00 C ATOM 240 CE LYS A 27 0.252 9.902 7.555 1.00 0.00 C ATOM 241 NZ LYS A 27 -0.257 10.822 6.526 1.00 0.00 N ATOM 0 H LYS A 27 2.934 7.136 8.953 1.00 0.00 H new ATOM 0 HA LYS A 27 2.333 7.942 11.551 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.762 7.873 8.936 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.203 8.723 10.363 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.344 10.090 10.313 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.757 9.309 8.800 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.342 11.088 9.365 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.653 11.403 8.245 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.897 9.161 7.083 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.586 9.361 7.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.775 10.282 5.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.896 11.515 6.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.540 11.320 6.081 1.00 0.00 H new ATOM 242 N VAL A 28 -0.052 5.900 10.548 1.00 0.00 N ATOM 243 CA VAL A 28 -0.922 4.799 10.941 1.00 0.00 C ATOM 244 C VAL A 28 -0.435 3.556 10.221 1.00 0.00 C ATOM 245 O VAL A 28 -0.259 2.519 10.859 1.00 0.00 O ATOM 246 CB VAL A 28 -2.390 5.114 10.624 1.00 0.00 C ATOM 247 CG1 VAL A 28 -3.292 3.883 10.765 1.00 0.00 C ATOM 248 CG2 VAL A 28 -2.907 6.176 11.588 1.00 0.00 C ATOM 0 H VAL A 28 -0.250 6.267 9.617 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.878 4.639 12.018 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.422 5.460 9.591 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.321 4.157 10.530 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.957 3.106 10.077 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.240 3.509 11.788 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.950 6.397 11.360 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.829 5.808 12.611 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.312 7.083 11.483 1.00 0.00 H new ATOM 249 N GLY A 29 -0.228 3.659 8.906 1.00 0.00 N ATOM 250 CA GLY A 29 0.421 2.630 8.115 1.00 0.00 C ATOM 251 C GLY A 29 1.913 2.940 7.989 1.00 0.00 C ATOM 252 O GLY A 29 2.352 4.023 8.379 1.00 0.00 O ATOM 0 H GLY A 29 -0.513 4.473 8.361 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.281 1.656 8.583 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.034 2.577 7.126 1.00 0.00 H new ATOM 253 N PRO A 30 2.704 2.010 7.432 1.00 0.00 N ATOM 254 CA PRO A 30 4.082 2.269 7.050 1.00 0.00 C ATOM 255 C PRO A 30 4.135 3.297 5.912 1.00 0.00 C ATOM 256 O PRO A 30 3.112 3.794 5.450 1.00 0.00 O ATOM 257 CB PRO A 30 4.651 0.905 6.646 1.00 0.00 C ATOM 258 CG PRO A 30 3.421 0.140 6.159 1.00 0.00 C ATOM 259 CD PRO A 30 2.311 0.661 7.071 1.00 0.00 C ATOM 0 HA PRO A 30 4.672 2.703 7.858 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.402 0.999 5.862 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.129 0.404 7.487 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.209 0.342 5.109 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.551 -0.938 6.256 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.349 0.657 6.559 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.204 0.034 7.956 1.00 0.00 H new ATOM 260 N ASN A 31 5.335 3.612 5.436 1.00 0.00 N ATOM 261 CA ASN A 31 5.523 4.461 4.267 1.00 0.00 C ATOM 262 C ASN A 31 5.595 3.564 3.030 1.00 0.00 C ATOM 263 O ASN A 31 6.110 2.452 3.125 1.00 0.00 O ATOM 264 CB ASN A 31 6.810 5.255 4.451 1.00 0.00 C ATOM 265 CG ASN A 31 7.184 6.023 3.191 1.00 0.00 C ATOM 266 OD1 ASN A 31 7.847 5.479 2.317 1.00 0.00 O ATOM 267 ND2 ASN A 31 6.768 7.276 3.076 1.00 0.00 N ATOM 0 H ASN A 31 6.207 3.284 5.852 1.00 0.00 H new ATOM 0 HA ASN A 31 4.698 5.162 4.143 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.692 5.952 5.280 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.621 4.577 4.718 1.00 0.00 H new ATOM 0 HD21 ASN A 31 6.999 7.815 2.242 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.217 7.701 3.822 1.00 0.00 H new ATOM 268 N LEU A 32 5.052 4.016 1.895 1.00 0.00 N ATOM 269 CA LEU A 32 4.906 3.197 0.697 1.00 0.00 C ATOM 270 C LEU A 32 5.893 3.590 -0.411 1.00 0.00 C ATOM 271 O LEU A 32 5.779 3.110 -1.540 1.00 0.00 O ATOM 272 CB LEU A 32 3.451 3.294 0.216 1.00 0.00 C ATOM 273 CG LEU A 32 2.427 2.840 1.273 1.00 0.00 C ATOM 274 CD1 LEU A 32 1.011 2.978 0.709 1.00 0.00 C ATOM 275 CD2 LEU A 32 2.649 1.383 1.702 1.00 0.00 C ATOM 0 H LEU A 32 4.701 4.967 1.786 1.00 0.00 H new ATOM 0 HA LEU A 32 5.146 2.164 0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.237 4.325 -0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.331 2.686 -0.681 1.00 0.00 H new ATOM 0 HG LEU A 32 2.558 3.477 2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.288 2.656 1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.823 4.019 0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.912 2.357 -0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.904 1.106 2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.554 0.730 0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.647 1.277 2.128 1.00 0.00 H new ATOM 276 N HIS A 33 6.873 4.444 -0.118 1.00 0.00 N ATOM 277 CA HIS A 33 7.897 4.791 -1.086 1.00 0.00 C ATOM 278 C HIS A 33 8.774 3.571 -1.344 1.00 0.00 C ATOM 279 O HIS A 33 9.214 2.914 -0.404 1.00 0.00 O ATOM 280 CB HIS A 33 8.744 5.941 -0.553 1.00 0.00 C ATOM 281 CG HIS A 33 9.618 6.562 -1.607 1.00 0.00 C ATOM 282 ND1 HIS A 33 9.332 7.705 -2.314 1.00 0.00 N ATOM 283 CD2 HIS A 33 10.874 6.151 -1.958 1.00 0.00 C ATOM 284 CE1 HIS A 33 10.416 7.994 -3.056 1.00 0.00 C ATOM 285 NE2 HIS A 33 11.384 7.082 -2.864 1.00 0.00 N ATOM 0 H HIS A 33 6.974 4.906 0.786 1.00 0.00 H new ATOM 0 HA HIS A 33 7.429 5.105 -2.019 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.088 6.705 -0.135 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.369 5.577 0.262 1.00 0.00 H new ATOM 0 HD1 HIS A 33 8.461 8.235 -2.282 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.380 5.267 -1.599 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.497 8.844 -3.717 1.00 0.00 H new ATOM 286 N GLY A 34 9.030 3.252 -2.612 1.00 0.00 N ATOM 287 CA GLY A 34 9.810 2.083 -2.960 1.00 0.00 C ATOM 288 C GLY A 34 9.112 0.791 -2.546 1.00 0.00 C ATOM 289 O GLY A 34 9.788 -0.213 -2.370 1.00 0.00 O ATOM 0 H GLY A 34 8.704 3.794 -3.412 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.987 2.072 -4.035 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.785 2.140 -2.477 1.00 0.00 H new ATOM 290 N ILE A 35 7.782 0.777 -2.404 1.00 0.00 N ATOM 291 CA ILE A 35 7.071 -0.456 -2.074 1.00 0.00 C ATOM 292 C ILE A 35 7.245 -1.466 -3.214 1.00 0.00 C ATOM 293 O ILE A 35 7.630 -2.611 -2.994 1.00 0.00 O ATOM 294 CB ILE A 35 5.602 -0.146 -1.726 1.00 0.00 C ATOM 295 CG1 ILE A 35 4.816 -1.368 -1.228 1.00 0.00 C ATOM 296 CG2 ILE A 35 4.793 0.435 -2.884 1.00 0.00 C ATOM 297 CD1 ILE A 35 5.054 -1.617 0.254 1.00 0.00 C ATOM 0 H ILE A 35 7.185 1.597 -2.512 1.00 0.00 H new ATOM 0 HA ILE A 35 7.494 -0.919 -1.183 1.00 0.00 H new ATOM 0 HB ILE A 35 5.708 0.595 -0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.752 -1.215 -1.406 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.111 -2.249 -1.798 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.771 0.624 -2.555 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.247 1.370 -3.212 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.782 -0.274 -3.712 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.483 -2.489 0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.115 -1.795 0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.735 -0.745 0.825 1.00 0.00 H new ATOM 298 N PHE A 36 6.979 -1.025 -4.447 1.00 0.00 N ATOM 299 CA PHE A 36 6.996 -1.871 -5.622 1.00 0.00 C ATOM 300 C PHE A 36 8.367 -2.498 -5.813 1.00 0.00 C ATOM 301 O PHE A 36 9.343 -1.817 -6.126 1.00 0.00 O ATOM 302 CB PHE A 36 6.527 -1.121 -6.869 1.00 0.00 C ATOM 303 CG PHE A 36 5.060 -0.762 -6.794 1.00 0.00 C ATOM 304 CD1 PHE A 36 4.085 -1.753 -7.026 1.00 0.00 C ATOM 305 CD2 PHE A 36 4.676 0.461 -6.223 1.00 0.00 C ATOM 306 CE1 PHE A 36 2.737 -1.509 -6.709 1.00 0.00 C ATOM 307 CE2 PHE A 36 3.345 0.682 -5.868 1.00 0.00 C ATOM 308 CZ PHE A 36 2.364 -0.286 -6.130 1.00 0.00 C ATOM 0 H PHE A 36 6.743 -0.053 -4.649 1.00 0.00 H new ATOM 0 HA PHE A 36 6.283 -2.680 -5.463 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.117 -0.213 -6.989 1.00 0.00 H new ATOM 0 HB3 PHE A 36 6.705 -1.736 -7.751 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.374 -2.704 -7.449 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.413 1.233 -6.058 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.989 -2.262 -6.911 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.067 1.608 -5.386 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.330 -0.092 -5.888 1.00 0.00 H new ATOM 309 N GLY A 37 8.411 -3.810 -5.621 1.00 0.00 N ATOM 310 CA GLY A 37 9.613 -4.607 -5.772 1.00 0.00 C ATOM 311 C GLY A 37 10.581 -4.413 -4.607 1.00 0.00 C ATOM 312 O GLY A 37 11.785 -4.605 -4.773 1.00 0.00 O ATOM 0 H GLY A 37 7.594 -4.357 -5.351 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.342 -5.660 -5.846 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.110 -4.339 -6.704 1.00 0.00 H new ATOM 313 N ARG A 38 10.075 -4.064 -3.422 1.00 0.00 N ATOM 314 CA ARG A 38 10.706 -4.369 -2.157 1.00 0.00 C ATOM 315 C ARG A 38 9.716 -5.274 -1.436 1.00 0.00 C ATOM 316 O ARG A 38 8.510 -5.126 -1.610 1.00 0.00 O ATOM 317 CB ARG A 38 10.929 -3.090 -1.363 1.00 0.00 C ATOM 318 CG ARG A 38 11.886 -2.110 -2.048 1.00 0.00 C ATOM 319 CD ARG A 38 13.298 -2.649 -2.311 1.00 0.00 C ATOM 320 NE ARG A 38 14.236 -1.549 -2.594 1.00 0.00 N ATOM 321 CZ ARG A 38 14.149 -0.693 -3.628 1.00 0.00 C ATOM 322 NH1 ARG A 38 13.265 -0.907 -4.608 1.00 0.00 N ATOM 323 NH2 ARG A 38 14.947 0.382 -3.668 1.00 0.00 N ATOM 0 H ARG A 38 9.198 -3.552 -3.324 1.00 0.00 H new ATOM 0 HA ARG A 38 11.680 -4.843 -2.282 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.970 -2.598 -1.203 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.324 -3.345 -0.380 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.448 -1.805 -2.999 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.966 -1.215 -1.432 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.643 -3.213 -1.445 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.277 -3.340 -3.154 1.00 0.00 H new ATOM 0 HE ARG A 38 15.018 -1.426 -1.951 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.653 -1.722 -4.574 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.203 -0.255 -5.390 1.00 0.00 H new ATOM 0 HH21 ARG A 38 15.617 0.548 -2.917 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.885 1.034 -4.450 1.00 0.00 H new ATOM 324 N GLN A 39 10.207 -6.236 -0.661 1.00 0.00 N ATOM 325 CA GLN A 39 9.339 -7.217 -0.057 1.00 0.00 C ATOM 326 C GLN A 39 8.480 -6.543 1.022 1.00 0.00 C ATOM 327 O GLN A 39 8.738 -5.409 1.426 1.00 0.00 O ATOM 328 CB GLN A 39 10.222 -8.329 0.503 1.00 0.00 C ATOM 329 CG GLN A 39 10.933 -9.087 -0.628 1.00 0.00 C ATOM 330 CD GLN A 39 12.046 -9.981 -0.103 1.00 0.00 C ATOM 331 OE1 GLN A 39 11.919 -11.202 -0.100 1.00 0.00 O ATOM 332 NE2 GLN A 39 13.154 -9.384 0.325 1.00 0.00 N ATOM 0 H GLN A 39 11.197 -6.350 -0.443 1.00 0.00 H new ATOM 0 HA GLN A 39 8.649 -7.651 -0.781 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.961 -7.904 1.182 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.615 -9.022 1.085 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.207 -9.693 -1.171 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.347 -8.372 -1.339 1.00 0.00 H new ATOM 0 HE21 GLN A 39 13.224 -8.367 0.308 1.00 0.00 H new ATOM 0 HE22 GLN A 39 13.934 -9.943 0.670 1.00 0.00 H new ATOM 333 N SER A 40 7.455 -7.242 1.497 1.00 0.00 N ATOM 334 CA SER A 40 6.594 -6.773 2.563 1.00 0.00 C ATOM 335 C SER A 40 7.350 -6.814 3.890 1.00 0.00 C ATOM 336 O SER A 40 8.367 -7.498 4.013 1.00 0.00 O ATOM 337 CB SER A 40 5.313 -7.620 2.574 1.00 0.00 C ATOM 338 OG SER A 40 5.628 -8.956 2.904 1.00 0.00 O ATOM 0 H SER A 40 7.200 -8.164 1.143 1.00 0.00 H new ATOM 0 HA SER A 40 6.301 -5.736 2.402 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.604 -7.215 3.296 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.831 -7.581 1.597 1.00 0.00 H new ATOM 0 HG SER A 40 4.809 -9.494 2.905 1.00 0.00 H new ATOM 339 N GLY A 41 6.865 -6.065 4.880 1.00 0.00 N ATOM 340 CA GLY A 41 7.397 -6.156 6.232 1.00 0.00 C ATOM 341 C GLY A 41 8.910 -5.902 6.339 1.00 0.00 C ATOM 342 O GLY A 41 9.568 -6.542 7.157 1.00 0.00 O ATOM 0 H GLY A 41 6.107 -5.392 4.768 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.875 -5.437 6.864 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.179 -7.147 6.629 1.00 0.00 H new ATOM 370 N TYR A 46 8.774 0.187 12.844 1.00 0.00 N ATOM 371 CA TYR A 46 7.402 0.593 13.114 1.00 0.00 C ATOM 372 C TYR A 46 6.597 -0.629 13.594 1.00 0.00 C ATOM 373 O TYR A 46 7.088 -1.759 13.562 1.00 0.00 O ATOM 374 CB TYR A 46 6.858 1.298 11.855 1.00 0.00 C ATOM 375 CG TYR A 46 5.397 1.086 11.537 1.00 0.00 C ATOM 376 CD1 TYR A 46 5.019 -0.054 10.811 1.00 0.00 C ATOM 377 CD2 TYR A 46 4.418 2.010 11.954 1.00 0.00 C ATOM 378 CE1 TYR A 46 3.684 -0.221 10.431 1.00 0.00 C ATOM 379 CE2 TYR A 46 3.070 1.809 11.610 1.00 0.00 C ATOM 380 CZ TYR A 46 2.705 0.677 10.865 1.00 0.00 C ATOM 381 OH TYR A 46 1.407 0.437 10.543 1.00 0.00 O ATOM 0 HA TYR A 46 7.323 1.316 13.926 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.031 2.369 11.963 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.444 0.965 10.999 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.756 -0.798 10.547 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.703 2.873 12.538 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.407 -1.050 9.797 1.00 0.00 H new ATOM 0 HE2 TYR A 46 2.319 2.522 11.917 1.00 0.00 H new ATOM 0 HH TYR A 46 0.855 1.197 10.823 1.00 0.00 H new ATOM 382 N SER A 47 5.367 -0.407 14.075 1.00 0.00 N ATOM 383 CA SER A 47 4.496 -1.433 14.625 1.00 0.00 C ATOM 384 C SER A 47 4.019 -2.398 13.533 1.00 0.00 C ATOM 385 O SER A 47 2.884 -2.290 13.070 1.00 0.00 O ATOM 386 CB SER A 47 3.310 -0.739 15.301 1.00 0.00 C ATOM 387 OG SER A 47 2.701 0.138 14.374 1.00 0.00 O ATOM 0 H SER A 47 4.946 0.522 14.089 1.00 0.00 H new ATOM 0 HA SER A 47 5.043 -2.029 15.355 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.589 -1.479 15.649 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.647 -0.186 16.177 1.00 0.00 H new ATOM 0 HG SER A 47 2.574 -0.326 13.520 1.00 0.00 H new ATOM 388 N TYR A 48 4.893 -3.316 13.129 1.00 0.00 N ATOM 389 CA TYR A 48 4.643 -4.360 12.163 1.00 0.00 C ATOM 390 C TYR A 48 4.026 -5.601 12.807 1.00 0.00 C ATOM 391 O TYR A 48 3.677 -5.578 13.987 1.00 0.00 O ATOM 392 CB TYR A 48 6.004 -4.695 11.555 1.00 0.00 C ATOM 393 CG TYR A 48 6.472 -3.861 10.388 1.00 0.00 C ATOM 394 CD1 TYR A 48 5.576 -3.231 9.495 1.00 0.00 C ATOM 395 CD2 TYR A 48 7.807 -4.039 10.011 1.00 0.00 C ATOM 396 CE1 TYR A 48 6.028 -2.755 8.257 1.00 0.00 C ATOM 397 CE2 TYR A 48 8.208 -3.713 8.716 1.00 0.00 C ATOM 398 CZ TYR A 48 7.334 -3.043 7.844 1.00 0.00 C ATOM 399 OH TYR A 48 7.684 -2.858 6.542 1.00 0.00 O ATOM 0 H TYR A 48 5.846 -3.345 13.493 1.00 0.00 H new ATOM 0 HA TYR A 48 3.927 -4.026 11.412 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.752 -4.619 12.344 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.982 -5.737 11.236 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.537 -3.116 9.768 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.524 -4.427 10.720 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.374 -2.171 7.627 1.00 0.00 H new ATOM 0 HE2 TYR A 48 9.200 -3.978 8.380 1.00 0.00 H new ATOM 0 HH TYR A 48 8.625 -3.103 6.418 1.00 0.00 H new ATOM 400 N THR A 49 3.898 -6.686 12.027 1.00 0.00 N ATOM 401 CA THR A 49 3.281 -7.919 12.487 1.00 0.00 C ATOM 402 C THR A 49 4.072 -9.159 12.058 1.00 0.00 C ATOM 403 O THR A 49 4.579 -9.244 10.937 1.00 0.00 O ATOM 404 CB THR A 49 1.810 -8.008 12.045 1.00 0.00 C ATOM 405 OG1 THR A 49 1.649 -8.457 10.719 1.00 0.00 O ATOM 406 CG2 THR A 49 1.062 -6.684 12.163 1.00 0.00 C ATOM 0 H THR A 49 4.223 -6.723 11.061 1.00 0.00 H new ATOM 0 HA THR A 49 3.300 -7.896 13.577 1.00 0.00 H new ATOM 0 HB THR A 49 1.388 -8.737 12.737 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.695 -8.572 10.526 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.031 -6.818 11.835 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.072 -6.351 13.201 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.547 -5.935 11.537 1.00 0.00 H new ATOM 407 N ASP A 50 4.114 -10.136 12.970 1.00 0.00 N ATOM 408 CA ASP A 50 4.468 -11.533 12.745 1.00 0.00 C ATOM 409 C ASP A 50 3.918 -12.028 11.404 1.00 0.00 C ATOM 410 O ASP A 50 4.641 -12.557 10.556 1.00 0.00 O ATOM 411 CB ASP A 50 3.836 -12.319 13.898 1.00 0.00 C ATOM 412 CG ASP A 50 3.953 -13.817 13.720 1.00 0.00 C ATOM 413 OD1 ASP A 50 5.007 -14.396 14.045 1.00 0.00 O ATOM 414 OD2 ASP A 50 2.991 -14.434 13.216 1.00 0.00 O ATOM 0 H ASP A 50 3.886 -9.955 13.948 1.00 0.00 H new ATOM 0 HA ASP A 50 5.550 -11.663 12.712 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.315 -12.030 14.834 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.783 -12.049 13.982 1.00 0.00 H new ATOM 415 N ALA A 51 2.611 -11.836 11.237 1.00 0.00 N ATOM 416 CA ALA A 51 1.880 -12.237 10.053 1.00 0.00 C ATOM 417 C ALA A 51 2.462 -11.583 8.799 1.00 0.00 C ATOM 418 O ALA A 51 2.810 -12.287 7.853 1.00 0.00 O ATOM 419 CB ALA A 51 0.400 -11.897 10.220 1.00 0.00 C ATOM 0 H ALA A 51 2.025 -11.387 11.941 1.00 0.00 H new ATOM 0 HA ALA A 51 1.977 -13.316 9.929 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.146 -12.200 9.327 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.001 -12.425 11.086 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.288 -10.823 10.366 1.00 0.00 H new ATOM 420 N ASN A 52 2.570 -10.248 8.779 1.00 0.00 N ATOM 421 CA ASN A 52 3.110 -9.527 7.632 1.00 0.00 C ATOM 422 C ASN A 52 4.503 -10.071 7.300 1.00 0.00 C ATOM 423 O ASN A 52 4.746 -10.480 6.168 1.00 0.00 O ATOM 424 CB ASN A 52 3.074 -8.009 7.888 1.00 0.00 C ATOM 425 CG ASN A 52 3.459 -7.183 6.657 1.00 0.00 C ATOM 426 OD1 ASN A 52 4.324 -7.575 5.884 1.00 0.00 O ATOM 427 ND2 ASN A 52 2.827 -6.030 6.449 1.00 0.00 N ATOM 0 H ASN A 52 2.287 -9.647 9.553 1.00 0.00 H new ATOM 0 HA ASN A 52 2.492 -9.690 6.749 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.072 -7.725 8.210 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.753 -7.768 8.706 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.061 -5.459 5.637 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.109 -5.717 7.102 1.00 0.00 H new ATOM 428 N ILE A 53 5.383 -10.176 8.304 1.00 0.00 N ATOM 429 CA ILE A 53 6.723 -10.733 8.137 1.00 0.00 C ATOM 430 C ILE A 53 6.675 -12.111 7.455 1.00 0.00 C ATOM 431 O ILE A 53 7.301 -12.312 6.417 1.00 0.00 O ATOM 432 CB ILE A 53 7.457 -10.756 9.494 1.00 0.00 C ATOM 433 CG1 ILE A 53 7.759 -9.312 9.941 1.00 0.00 C ATOM 434 CG2 ILE A 53 8.764 -11.561 9.408 1.00 0.00 C ATOM 435 CD1 ILE A 53 8.136 -9.220 11.422 1.00 0.00 C ATOM 0 H ILE A 53 5.181 -9.875 9.257 1.00 0.00 H new ATOM 0 HA ILE A 53 7.297 -10.091 7.469 1.00 0.00 H new ATOM 0 HB ILE A 53 6.811 -11.241 10.225 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.573 -8.912 9.337 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.886 -8.687 9.753 1.00 0.00 H new ATOM 0 HG21 ILE A 53 9.258 -11.558 10.380 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.541 -12.587 9.117 1.00 0.00 H new ATOM 0 HG23 ILE A 53 9.422 -11.109 8.666 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.338 -8.181 11.682 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.312 -9.593 12.031 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.026 -9.821 11.609 1.00 0.00 H new ATOM 436 N LYS A 54 5.935 -13.077 8.012 1.00 0.00 N ATOM 437 CA LYS A 54 5.832 -14.398 7.388 1.00 0.00 C ATOM 438 C LYS A 54 5.146 -14.355 6.021 1.00 0.00 C ATOM 439 O LYS A 54 5.359 -15.248 5.204 1.00 0.00 O ATOM 440 CB LYS A 54 5.145 -15.394 8.321 1.00 0.00 C ATOM 441 CG LYS A 54 6.177 -15.989 9.288 1.00 0.00 C ATOM 442 CD LYS A 54 5.520 -16.837 10.383 1.00 0.00 C ATOM 443 CE LYS A 54 4.893 -15.899 11.418 1.00 0.00 C ATOM 444 NZ LYS A 54 4.322 -16.606 12.578 1.00 0.00 N ATOM 0 H LYS A 54 5.408 -12.971 8.879 1.00 0.00 H new ATOM 0 HA LYS A 54 6.852 -14.741 7.211 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.352 -14.897 8.880 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.676 -16.188 7.740 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.884 -16.603 8.730 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.749 -15.183 9.748 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.759 -17.487 9.952 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.260 -17.482 10.857 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.650 -15.196 11.767 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.110 -15.312 10.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.451 -16.126 12.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.102 -17.587 12.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.009 -16.604 13.359 1.00 0.00 H new ATOM 445 N LYS A 55 4.365 -13.312 5.738 1.00 0.00 N ATOM 446 CA LYS A 55 3.744 -13.078 4.447 1.00 0.00 C ATOM 447 C LYS A 55 4.647 -12.154 3.619 1.00 0.00 C ATOM 448 O LYS A 55 4.167 -11.250 2.938 1.00 0.00 O ATOM 449 CB LYS A 55 2.330 -12.534 4.686 1.00 0.00 C ATOM 450 CG LYS A 55 1.377 -12.627 3.488 1.00 0.00 C ATOM 451 CD LYS A 55 1.162 -14.068 3.001 1.00 0.00 C ATOM 452 CE LYS A 55 -0.168 -14.160 2.239 1.00 0.00 C ATOM 453 NZ LYS A 55 -0.384 -15.487 1.631 1.00 0.00 N ATOM 0 H LYS A 55 4.145 -12.590 6.424 1.00 0.00 H new ATOM 0 HA LYS A 55 3.635 -13.993 3.865 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.888 -13.075 5.523 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.407 -11.489 4.987 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.415 -12.195 3.762 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.773 -12.028 2.668 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.985 -14.371 2.354 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.155 -14.752 3.849 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.989 -13.939 2.921 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.189 -13.399 1.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.295 -15.495 1.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.383 -15.690 0.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.393 -16.213 2.376 1.00 0.00 H new ATOM 454 N ASN A 56 5.956 -12.423 3.688 1.00 0.00 N ATOM 455 CA ASN A 56 7.032 -11.880 2.861 1.00 0.00 C ATOM 456 C ASN A 56 6.660 -11.920 1.372 1.00 0.00 C ATOM 457 O ASN A 56 6.958 -12.886 0.668 1.00 0.00 O ATOM 458 CB ASN A 56 8.322 -12.668 3.134 1.00 0.00 C ATOM 459 CG ASN A 56 9.530 -12.101 2.391 1.00 0.00 C ATOM 460 OD1 ASN A 56 10.394 -11.467 2.986 1.00 0.00 O ATOM 461 ND2 ASN A 56 9.620 -12.343 1.088 1.00 0.00 N ATOM 0 H ASN A 56 6.316 -13.080 4.381 1.00 0.00 H new ATOM 0 HA ASN A 56 7.191 -10.834 3.121 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.525 -12.664 4.205 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.176 -13.708 2.841 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.422 -11.999 0.560 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.888 -12.873 0.616 1.00 0.00 H new ATOM 462 N VAL A 57 6.014 -10.859 0.900 1.00 0.00 N ATOM 463 CA VAL A 57 5.436 -10.691 -0.421 1.00 0.00 C ATOM 464 C VAL A 57 6.251 -9.625 -1.148 1.00 0.00 C ATOM 465 O VAL A 57 6.507 -8.571 -0.586 1.00 0.00 O ATOM 466 CB VAL A 57 3.953 -10.301 -0.236 1.00 0.00 C ATOM 467 CG1 VAL A 57 3.434 -9.282 -1.254 1.00 0.00 C ATOM 468 CG2 VAL A 57 3.086 -11.564 -0.273 1.00 0.00 C ATOM 0 H VAL A 57 5.872 -10.032 1.480 1.00 0.00 H new ATOM 0 HA VAL A 57 5.466 -11.599 -1.023 1.00 0.00 H new ATOM 0 HB VAL A 57 3.887 -9.808 0.734 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.385 -9.066 -1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.015 -8.363 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.531 -9.691 -2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.039 -11.291 -0.143 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.213 -12.065 -1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.388 -12.236 0.530 1.00 0.00 H new ATOM 469 N LEU A 58 6.652 -9.890 -2.391 1.00 0.00 N ATOM 470 CA LEU A 58 7.513 -9.026 -3.203 1.00 0.00 C ATOM 471 C LEU A 58 6.926 -7.630 -3.467 1.00 0.00 C ATOM 472 O LEU A 58 7.667 -6.721 -3.834 1.00 0.00 O ATOM 473 CB LEU A 58 7.784 -9.779 -4.504 1.00 0.00 C ATOM 474 CG LEU A 58 8.747 -9.074 -5.474 1.00 0.00 C ATOM 475 CD1 LEU A 58 9.658 -10.116 -6.126 1.00 0.00 C ATOM 476 CD2 LEU A 58 7.982 -8.340 -6.583 1.00 0.00 C ATOM 0 H LEU A 58 6.377 -10.742 -2.879 1.00 0.00 H new ATOM 0 HA LEU A 58 8.434 -8.823 -2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.191 -10.760 -4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.835 -9.945 -5.014 1.00 0.00 H new ATOM 0 HG LEU A 58 9.328 -8.348 -4.905 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.343 -9.621 -6.815 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.230 -10.633 -5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 58 9.052 -10.838 -6.673 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.691 -7.852 -7.252 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.384 -9.055 -7.147 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.327 -7.590 -6.139 1.00 0.00 H new ATOM 477 N TRP A 59 5.605 -7.480 -3.338 1.00 0.00 N ATOM 478 CA TRP A 59 4.856 -6.287 -3.707 1.00 0.00 C ATOM 479 C TRP A 59 5.093 -5.895 -5.166 1.00 0.00 C ATOM 480 O TRP A 59 5.775 -4.920 -5.470 1.00 0.00 O ATOM 481 CB TRP A 59 5.079 -5.115 -2.739 1.00 0.00 C ATOM 482 CG TRP A 59 4.535 -5.251 -1.343 1.00 0.00 C ATOM 483 CD1 TRP A 59 5.201 -4.908 -0.217 1.00 0.00 C ATOM 484 CD2 TRP A 59 3.214 -5.698 -0.897 1.00 0.00 C ATOM 485 NE1 TRP A 59 4.382 -5.086 0.879 1.00 0.00 N ATOM 486 CE2 TRP A 59 3.175 -5.641 0.529 1.00 0.00 C ATOM 487 CE3 TRP A 59 2.041 -6.144 -1.544 1.00 0.00 C ATOM 488 CZ2 TRP A 59 2.062 -6.061 1.276 1.00 0.00 C ATOM 489 CZ3 TRP A 59 0.929 -6.584 -0.808 1.00 0.00 C ATOM 490 CH2 TRP A 59 0.940 -6.556 0.595 1.00 0.00 C ATOM 0 H TRP A 59 5.010 -8.217 -2.959 1.00 0.00 H new ATOM 0 HA TRP A 59 3.801 -6.546 -3.616 1.00 0.00 H new ATOM 0 HB2 TRP A 59 6.152 -4.940 -2.666 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.640 -4.223 -3.185 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.219 -4.549 -0.181 1.00 0.00 H new ATOM 0 HE1 TRP A 59 4.641 -4.836 1.833 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.998 -6.147 -2.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 2.070 -6.004 2.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 0.055 -6.948 -1.328 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.086 -6.915 1.150 1.00 0.00 H new ATOM 491 N ASP A 60 4.466 -6.647 -6.068 1.00 0.00 N ATOM 492 CA ASP A 60 4.201 -6.263 -7.445 1.00 0.00 C ATOM 493 C ASP A 60 2.770 -5.716 -7.552 1.00 0.00 C ATOM 494 O ASP A 60 1.964 -5.831 -6.626 1.00 0.00 O ATOM 495 CB ASP A 60 4.328 -7.512 -8.314 1.00 0.00 C ATOM 496 CG ASP A 60 3.254 -8.487 -7.878 1.00 0.00 C ATOM 497 OD1 ASP A 60 3.491 -9.121 -6.826 1.00 0.00 O ATOM 498 OD2 ASP A 60 2.172 -8.465 -8.503 1.00 0.00 O ATOM 0 H ASP A 60 4.116 -7.579 -5.846 1.00 0.00 H new ATOM 0 HA ASP A 60 4.904 -5.497 -7.770 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.210 -7.259 -9.368 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.317 -7.957 -8.202 1.00 0.00 H new ATOM 499 N GLU A 61 2.450 -5.147 -8.713 1.00 0.00 N ATOM 500 CA GLU A 61 1.166 -4.529 -9.008 1.00 0.00 C ATOM 501 C GLU A 61 0.001 -5.528 -8.977 1.00 0.00 C ATOM 502 O GLU A 61 -1.120 -5.163 -8.611 1.00 0.00 O ATOM 503 CB GLU A 61 1.272 -3.850 -10.380 1.00 0.00 C ATOM 504 CG GLU A 61 2.303 -2.724 -10.380 1.00 0.00 C ATOM 505 CD GLU A 61 3.094 -2.646 -11.672 1.00 0.00 C ATOM 506 OE1 GLU A 61 4.135 -3.335 -11.758 1.00 0.00 O ATOM 507 OE2 GLU A 61 2.805 -1.779 -12.527 1.00 0.00 O ATOM 0 H GLU A 61 3.101 -5.104 -9.497 1.00 0.00 H new ATOM 0 HA GLU A 61 0.943 -3.797 -8.232 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.544 -4.591 -11.132 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.298 -3.451 -10.664 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.796 -1.774 -10.213 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.991 -2.869 -9.547 1.00 0.00 H new ATOM 508 N ASN A 62 0.233 -6.779 -9.385 1.00 0.00 N ATOM 509 CA ASN A 62 -0.837 -7.759 -9.498 1.00 0.00 C ATOM 510 C ASN A 62 -1.239 -8.230 -8.104 1.00 0.00 C ATOM 511 O ASN A 62 -2.421 -8.299 -7.783 1.00 0.00 O ATOM 512 CB ASN A 62 -0.413 -8.922 -10.394 1.00 0.00 C ATOM 513 CG ASN A 62 -1.574 -9.860 -10.658 1.00 0.00 C ATOM 514 OD1 ASN A 62 -2.406 -9.600 -11.521 1.00 0.00 O ATOM 515 ND2 ASN A 62 -1.632 -10.974 -9.945 1.00 0.00 N ATOM 0 H ASN A 62 1.155 -7.132 -9.641 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.706 -7.299 -9.968 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.031 -8.536 -11.339 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.402 -9.471 -9.921 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.384 -11.644 -10.107 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.925 -11.162 -9.234 1.00 0.00 H new ATOM 516 N ASN A 63 -0.257 -8.501 -7.246 1.00 0.00 N ATOM 517 CA ASN A 63 -0.533 -8.751 -5.838 1.00 0.00 C ATOM 518 C ASN A 63 -1.176 -7.519 -5.196 1.00 0.00 C ATOM 519 O ASN A 63 -2.191 -7.646 -4.509 1.00 0.00 O ATOM 520 CB ASN A 63 0.738 -9.168 -5.095 1.00 0.00 C ATOM 521 CG ASN A 63 1.084 -10.645 -5.305 1.00 0.00 C ATOM 522 OD1 ASN A 63 0.207 -11.500 -5.391 1.00 0.00 O ATOM 523 ND2 ASN A 63 2.366 -10.976 -5.368 1.00 0.00 N ATOM 0 H ASN A 63 0.729 -8.552 -7.501 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.239 -9.579 -5.765 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.571 -8.552 -5.433 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.611 -8.976 -4.030 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.635 -11.952 -5.490 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.083 -10.254 -5.295 1.00 0.00 H new ATOM 524 N MET A 64 -0.616 -6.324 -5.429 1.00 0.00 N ATOM 525 CA MET A 64 -1.159 -5.088 -4.870 1.00 0.00 C ATOM 526 C MET A 64 -2.655 -4.951 -5.183 1.00 0.00 C ATOM 527 O MET A 64 -3.446 -4.589 -4.311 1.00 0.00 O ATOM 528 CB MET A 64 -0.366 -3.873 -5.378 1.00 0.00 C ATOM 529 CG MET A 64 -0.609 -2.627 -4.516 1.00 0.00 C ATOM 530 SD MET A 64 -0.044 -2.716 -2.793 1.00 0.00 S ATOM 531 CE MET A 64 1.751 -2.862 -2.991 1.00 0.00 C ATOM 0 H MET A 64 0.216 -6.192 -6.004 1.00 0.00 H new ATOM 0 HA MET A 64 -1.056 -5.128 -3.786 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.698 -4.110 -5.381 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.648 -3.661 -6.409 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.117 -1.780 -4.994 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.678 -2.416 -4.515 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.227 -2.854 -2.010 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.986 -3.796 -3.501 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.121 -2.024 -3.581 1.00 0.00 H new ATOM 532 N SER A 65 -3.045 -5.262 -6.424 1.00 0.00 N ATOM 533 CA SER A 65 -4.420 -5.261 -6.870 1.00 0.00 C ATOM 534 C SER A 65 -5.350 -6.109 -5.988 1.00 0.00 C ATOM 535 O SER A 65 -6.521 -5.748 -5.805 1.00 0.00 O ATOM 536 CB SER A 65 -4.428 -5.718 -8.328 1.00 0.00 C ATOM 537 OG SER A 65 -3.810 -4.757 -9.159 1.00 0.00 O ATOM 0 H SER A 65 -2.386 -5.527 -7.156 1.00 0.00 H new ATOM 0 HA SER A 65 -4.824 -4.252 -6.785 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.907 -6.671 -8.418 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.454 -5.883 -8.656 1.00 0.00 H new ATOM 0 HG SER A 65 -2.838 -4.794 -9.036 1.00 0.00 H new ATOM 538 N GLU A 66 -4.853 -7.226 -5.452 1.00 0.00 N ATOM 539 CA GLU A 66 -5.617 -8.067 -4.543 1.00 0.00 C ATOM 540 C GLU A 66 -5.565 -7.457 -3.143 1.00 0.00 C ATOM 541 O GLU A 66 -6.599 -7.201 -2.529 1.00 0.00 O ATOM 542 CB GLU A 66 -5.065 -9.498 -4.570 1.00 0.00 C ATOM 543 CG GLU A 66 -5.984 -10.501 -3.847 1.00 0.00 C ATOM 544 CD GLU A 66 -7.365 -10.665 -4.480 1.00 0.00 C ATOM 545 OE1 GLU A 66 -7.466 -10.449 -5.707 1.00 0.00 O ATOM 546 OE2 GLU A 66 -8.291 -11.018 -3.717 1.00 0.00 O ATOM 0 H GLU A 66 -3.910 -7.568 -5.639 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.660 -8.117 -4.854 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.933 -9.813 -5.605 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.080 -9.512 -4.104 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.492 -11.473 -3.823 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.108 -10.180 -2.813 1.00 0.00 H new ATOM 547 N TYR A 67 -4.351 -7.188 -2.649 1.00 0.00 N ATOM 548 CA TYR A 67 -4.156 -6.618 -1.319 1.00 0.00 C ATOM 549 C TYR A 67 -5.097 -5.439 -1.077 1.00 0.00 C ATOM 550 O TYR A 67 -5.847 -5.436 -0.108 1.00 0.00 O ATOM 551 CB TYR A 67 -2.698 -6.208 -1.086 1.00 0.00 C ATOM 552 CG TYR A 67 -2.476 -5.523 0.253 1.00 0.00 C ATOM 553 CD1 TYR A 67 -2.466 -6.297 1.424 1.00 0.00 C ATOM 554 CD2 TYR A 67 -2.498 -4.118 0.358 1.00 0.00 C ATOM 555 CE1 TYR A 67 -2.474 -5.688 2.687 1.00 0.00 C ATOM 556 CE2 TYR A 67 -2.566 -3.509 1.626 1.00 0.00 C ATOM 557 CZ TYR A 67 -2.537 -4.295 2.792 1.00 0.00 C ATOM 558 OH TYR A 67 -2.835 -3.766 4.010 1.00 0.00 O ATOM 0 H TYR A 67 -3.484 -7.359 -3.159 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.399 -7.398 -0.597 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.065 -7.093 -1.144 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.383 -5.538 -1.886 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.452 -7.374 1.351 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.463 -3.509 -0.533 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.431 -6.295 3.579 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.641 -2.434 1.703 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.847 -2.788 3.948 1.00 0.00 H new ATOM 559 N LEU A 68 -5.080 -4.447 -1.965 1.00 0.00 N ATOM 560 CA LEU A 68 -5.918 -3.267 -1.806 1.00 0.00 C ATOM 561 C LEU A 68 -7.404 -3.598 -1.733 1.00 0.00 C ATOM 562 O LEU A 68 -8.151 -2.966 -0.984 1.00 0.00 O ATOM 563 CB LEU A 68 -5.664 -2.301 -2.951 1.00 0.00 C ATOM 564 CG LEU A 68 -4.374 -1.491 -2.770 1.00 0.00 C ATOM 565 CD1 LEU A 68 -4.197 -0.570 -3.980 1.00 0.00 C ATOM 566 CD2 LEU A 68 -4.411 -0.627 -1.505 1.00 0.00 C ATOM 0 H LEU A 68 -4.495 -4.440 -2.800 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.647 -2.809 -0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.609 -2.859 -3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.508 -1.617 -3.037 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.547 -2.195 -2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.283 0.012 -3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.132 -1.170 -4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.050 0.105 -4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.478 -0.071 -1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.245 0.072 -1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.536 -1.266 -0.631 1.00 0.00 H new ATOM 567 N THR A 69 -7.848 -4.551 -2.549 1.00 0.00 N ATOM 568 CA THR A 69 -9.239 -4.962 -2.552 1.00 0.00 C ATOM 569 C THR A 69 -9.594 -5.792 -1.313 1.00 0.00 C ATOM 570 O THR A 69 -10.751 -5.762 -0.889 1.00 0.00 O ATOM 571 CB THR A 69 -9.635 -5.611 -3.887 1.00 0.00 C ATOM 572 OG1 THR A 69 -8.771 -6.662 -4.252 1.00 0.00 O ATOM 573 CG2 THR A 69 -9.614 -4.586 -5.023 1.00 0.00 C ATOM 0 H THR A 69 -7.259 -5.050 -3.216 1.00 0.00 H new ATOM 0 HA THR A 69 -9.857 -4.067 -2.475 1.00 0.00 H new ATOM 0 HB THR A 69 -10.640 -6.004 -3.736 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.109 -6.803 -3.543 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.898 -5.072 -5.957 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.318 -3.784 -4.802 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.611 -4.171 -5.120 1.00 0.00 H new ATOM 574 N ASN A 70 -8.642 -6.504 -0.690 1.00 0.00 N ATOM 575 CA ASN A 70 -8.932 -7.304 0.506 1.00 0.00 C ATOM 576 C ASN A 70 -7.720 -7.463 1.450 1.00 0.00 C ATOM 577 O ASN A 70 -7.179 -8.560 1.616 1.00 0.00 O ATOM 578 CB ASN A 70 -9.588 -8.629 0.073 1.00 0.00 C ATOM 579 CG ASN A 70 -10.972 -8.852 0.677 1.00 0.00 C ATOM 580 OD1 ASN A 70 -11.250 -9.915 1.233 1.00 0.00 O ATOM 581 ND2 ASN A 70 -11.878 -7.889 0.536 1.00 0.00 N ATOM 0 H ASN A 70 -7.669 -6.541 -0.995 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.647 -6.767 1.129 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.668 -8.647 -1.014 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.939 -9.457 0.358 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.824 -8.023 0.892 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.626 -7.016 0.072 1.00 0.00 H new ATOM 582 N PRO A 71 -7.312 -6.384 2.143 1.00 0.00 N ATOM 583 CA PRO A 71 -6.029 -6.333 2.834 1.00 0.00 C ATOM 584 C PRO A 71 -5.986 -7.300 4.015 1.00 0.00 C ATOM 585 O PRO A 71 -5.080 -8.124 4.124 1.00 0.00 O ATOM 586 CB PRO A 71 -5.824 -4.871 3.245 1.00 0.00 C ATOM 587 CG PRO A 71 -7.194 -4.202 3.125 1.00 0.00 C ATOM 588 CD PRO A 71 -7.993 -5.100 2.178 1.00 0.00 C ATOM 0 HA PRO A 71 -5.213 -6.658 2.189 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.444 -4.802 4.264 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -5.094 -4.383 2.599 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -7.680 -4.122 4.097 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.106 -3.190 2.729 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.019 -5.216 2.528 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -8.044 -4.662 1.181 1.00 0.00 H new ATOM 601 N LYS A 73 -7.413 -9.956 4.497 1.00 0.00 N ATOM 602 CA LYS A 73 -7.439 -11.347 4.083 1.00 0.00 C ATOM 603 C LYS A 73 -6.096 -11.683 3.451 1.00 0.00 C ATOM 604 O LYS A 73 -5.499 -12.715 3.747 1.00 0.00 O ATOM 605 CB LYS A 73 -8.600 -11.545 3.104 1.00 0.00 C ATOM 606 CG LYS A 73 -8.959 -13.031 2.947 1.00 0.00 C ATOM 607 CD LYS A 73 -10.318 -13.200 2.254 1.00 0.00 C ATOM 608 CE LYS A 73 -10.243 -12.915 0.744 1.00 0.00 C ATOM 609 NZ LYS A 73 -11.524 -12.403 0.221 1.00 0.00 N ATOM 0 HA LYS A 73 -7.596 -12.016 4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.472 -10.994 3.457 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.332 -11.130 2.132 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.186 -13.536 2.367 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.985 -13.508 3.927 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.680 -14.216 2.412 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.043 -12.528 2.713 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.454 -12.188 0.550 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.973 -13.828 0.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.558 -12.540 -0.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.311 -12.918 0.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.607 -11.389 0.438 1.00 0.00 H new ATOM 610 N TYR A 74 -5.628 -10.797 2.569 1.00 0.00 N ATOM 611 CA TYR A 74 -4.365 -10.965 1.877 1.00 0.00 C ATOM 612 C TYR A 74 -3.205 -11.085 2.872 1.00 0.00 C ATOM 613 O TYR A 74 -2.341 -11.946 2.701 1.00 0.00 O ATOM 614 CB TYR A 74 -4.182 -9.806 0.896 1.00 0.00 C ATOM 615 CG TYR A 74 -3.031 -10.003 -0.069 1.00 0.00 C ATOM 616 CD1 TYR A 74 -1.712 -9.733 0.337 1.00 0.00 C ATOM 617 CD2 TYR A 74 -3.268 -10.571 -1.333 1.00 0.00 C ATOM 618 CE1 TYR A 74 -0.640 -10.013 -0.519 1.00 0.00 C ATOM 619 CE2 TYR A 74 -2.189 -10.886 -2.178 1.00 0.00 C ATOM 620 CZ TYR A 74 -0.875 -10.623 -1.760 1.00 0.00 C ATOM 621 OH TYR A 74 0.176 -11.072 -2.498 1.00 0.00 O ATOM 0 H TYR A 74 -6.123 -9.941 2.319 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.371 -11.896 1.310 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.103 -9.673 0.328 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.020 -8.887 1.459 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.525 -9.308 1.312 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.280 -10.766 -1.655 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.367 -9.759 -0.224 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.371 -11.329 -3.146 1.00 0.00 H new ATOM 0 HH TYR A 74 -0.154 -11.636 -3.228 1.00 0.00 H new ATOM 622 N ILE A 75 -3.184 -10.243 3.914 1.00 0.00 N ATOM 623 CA ILE A 75 -2.250 -10.383 5.030 1.00 0.00 C ATOM 624 C ILE A 75 -3.039 -10.955 6.215 1.00 0.00 C ATOM 625 O ILE A 75 -3.947 -10.286 6.702 1.00 0.00 O ATOM 626 CB ILE A 75 -1.589 -9.035 5.385 1.00 0.00 C ATOM 627 CG1 ILE A 75 -0.835 -8.398 4.202 1.00 0.00 C ATOM 628 CG2 ILE A 75 -0.645 -9.185 6.592 1.00 0.00 C ATOM 629 CD1 ILE A 75 0.353 -9.198 3.663 1.00 0.00 C ATOM 0 H ILE A 75 -3.816 -9.447 4.003 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.435 -11.054 4.761 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.405 -8.360 5.644 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.542 -8.240 3.388 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.478 -7.415 4.510 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.192 -8.221 6.822 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.211 -9.535 7.455 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.137 -9.906 6.355 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.809 -8.658 2.833 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.089 -9.335 4.455 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.008 -10.172 3.316 1.00 0.00 H new ATOM 630 N PRO A 76 -2.732 -12.168 6.703 1.00 0.00 N ATOM 631 CA PRO A 76 -3.507 -12.813 7.754 1.00 0.00 C ATOM 632 C PRO A 76 -3.120 -12.252 9.129 1.00 0.00 C ATOM 633 O PRO A 76 -2.633 -12.982 9.989 1.00 0.00 O ATOM 634 CB PRO A 76 -3.182 -14.304 7.604 1.00 0.00 C ATOM 635 CG PRO A 76 -1.728 -14.285 7.136 1.00 0.00 C ATOM 636 CD PRO A 76 -1.683 -13.056 6.225 1.00 0.00 C ATOM 0 HA PRO A 76 -4.579 -12.637 7.672 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.297 -14.840 8.546 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.835 -14.790 6.879 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -1.035 -14.195 7.972 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -1.463 -15.196 6.600 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -0.708 -12.570 6.272 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -1.851 -13.334 5.185 1.00 0.00 H new ATOM 637 N GLY A 77 -3.327 -10.948 9.333 1.00 0.00 N ATOM 638 CA GLY A 77 -2.946 -10.245 10.551 1.00 0.00 C ATOM 639 C GLY A 77 -2.311 -8.907 10.194 1.00 0.00 C ATOM 640 O GLY A 77 -1.092 -8.750 10.261 1.00 0.00 O ATOM 0 H GLY A 77 -3.772 -10.345 8.641 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.822 -10.086 11.180 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.245 -10.849 11.127 1.00 0.00 H new ATOM 641 N THR A 78 -3.149 -7.943 9.806 1.00 0.00 N ATOM 642 CA THR A 78 -2.745 -6.583 9.491 1.00 0.00 C ATOM 643 C THR A 78 -3.603 -5.626 10.308 1.00 0.00 C ATOM 644 O THR A 78 -4.787 -5.886 10.537 1.00 0.00 O ATOM 645 CB THR A 78 -2.856 -6.308 7.979 1.00 0.00 C ATOM 646 OG1 THR A 78 -2.921 -4.926 7.711 1.00 0.00 O ATOM 647 CG2 THR A 78 -4.123 -6.886 7.361 1.00 0.00 C ATOM 0 H THR A 78 -4.152 -8.097 9.701 1.00 0.00 H new ATOM 0 HA THR A 78 -1.697 -6.435 9.753 1.00 0.00 H new ATOM 0 HB THR A 78 -1.967 -6.774 7.554 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.989 -4.783 6.744 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.144 -6.660 6.295 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.137 -7.967 7.503 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.996 -6.446 7.842 1.00 0.00 H new ATOM 648 N LYS A 79 -3.007 -4.512 10.733 1.00 0.00 N ATOM 649 CA LYS A 79 -3.720 -3.409 11.359 1.00 0.00 C ATOM 650 C LYS A 79 -4.667 -2.712 10.363 1.00 0.00 C ATOM 651 O LYS A 79 -5.587 -2.008 10.776 1.00 0.00 O ATOM 652 CB LYS A 79 -2.662 -2.447 11.919 1.00 0.00 C ATOM 653 CG LYS A 79 -3.254 -1.263 12.693 1.00 0.00 C ATOM 654 CD LYS A 79 -2.132 -0.285 13.072 1.00 0.00 C ATOM 655 CE LYS A 79 -2.515 0.731 14.153 1.00 0.00 C ATOM 656 NZ LYS A 79 -3.823 1.376 13.917 1.00 0.00 N ATOM 0 H LYS A 79 -2.003 -4.353 10.649 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.359 -3.772 12.164 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.992 -3.001 12.576 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.058 -2.066 11.096 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.003 -0.756 12.085 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.760 -1.618 13.591 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.270 -0.856 13.417 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.820 0.255 12.178 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.535 0.230 15.121 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.744 1.500 14.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -3.975 2.122 14.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.837 1.795 12.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.579 0.666 13.994 1.00 0.00 H new ATOM 657 N ALA A 80 -4.409 -2.843 9.060 1.00 0.00 N ATOM 658 CA ALA A 80 -5.082 -2.085 8.012 1.00 0.00 C ATOM 659 C ALA A 80 -6.606 -2.221 8.052 1.00 0.00 C ATOM 660 O ALA A 80 -7.139 -3.329 8.106 1.00 0.00 O ATOM 661 CB ALA A 80 -4.572 -2.540 6.648 1.00 0.00 C ATOM 0 H ALA A 80 -3.711 -3.494 8.700 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.850 -1.034 8.185 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.075 -1.974 5.864 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.497 -2.370 6.586 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.779 -3.602 6.518 1.00 0.00 H new ATOM 662 N ALA A 81 -7.317 -1.089 7.978 1.00 0.00 N ATOM 663 CA ALA A 81 -8.771 -1.058 8.005 1.00 0.00 C ATOM 664 C ALA A 81 -9.294 0.277 7.475 1.00 0.00 C ATOM 665 O ALA A 81 -9.606 1.166 8.261 1.00 0.00 O ATOM 666 CB ALA A 81 -9.264 -1.317 9.434 1.00 0.00 C ATOM 0 H ALA A 81 -6.889 -0.166 7.897 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.157 -1.843 7.354 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.354 -1.293 9.453 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.916 -2.295 9.767 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.873 -0.547 10.099 1.00 0.00 H new ATOM 667 N PHE A 82 -9.399 0.410 6.148 1.00 0.00 N ATOM 668 CA PHE A 82 -9.971 1.598 5.508 1.00 0.00 C ATOM 669 C PHE A 82 -11.187 1.278 4.629 1.00 0.00 C ATOM 670 O PHE A 82 -11.817 2.196 4.109 1.00 0.00 O ATOM 671 CB PHE A 82 -8.887 2.346 4.725 1.00 0.00 C ATOM 672 CG PHE A 82 -8.566 1.794 3.349 1.00 0.00 C ATOM 673 CD1 PHE A 82 -7.589 0.793 3.177 1.00 0.00 C ATOM 674 CD2 PHE A 82 -9.272 2.274 2.230 1.00 0.00 C ATOM 675 CE1 PHE A 82 -7.376 0.232 1.905 1.00 0.00 C ATOM 676 CE2 PHE A 82 -9.064 1.706 0.964 1.00 0.00 C ATOM 677 CZ PHE A 82 -8.142 0.660 0.806 1.00 0.00 C ATOM 0 H PHE A 82 -9.089 -0.304 5.488 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.344 2.247 6.300 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.197 3.385 4.616 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.972 2.347 5.318 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -7.005 0.457 4.021 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -9.977 3.084 2.346 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.622 -0.530 1.772 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -9.614 2.074 0.110 1.00 0.00 H new ATOM 0 HZ PHE A 82 -8.021 0.185 -0.156 1.00 0.00 H new ATOM 678 N GLY A 83 -11.518 -0.007 4.461 1.00 0.00 N ATOM 679 CA GLY A 83 -12.537 -0.457 3.526 1.00 0.00 C ATOM 680 C GLY A 83 -11.866 -0.899 2.229 1.00 0.00 C ATOM 681 O GLY A 83 -11.560 -0.065 1.380 1.00 0.00 O ATOM 0 H GLY A 83 -11.077 -0.767 4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.104 -1.283 3.956 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.246 0.347 3.327 1.00 0.00 H new ATOM 682 N GLY A 84 -11.635 -2.212 2.096 1.00 0.00 N ATOM 683 CA GLY A 84 -11.047 -2.835 0.914 1.00 0.00 C ATOM 684 C GLY A 84 -11.606 -2.228 -0.375 1.00 0.00 C ATOM 685 O GLY A 84 -12.823 -2.096 -0.516 1.00 0.00 O ATOM 0 H GLY A 84 -11.860 -2.884 2.830 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.964 -2.711 0.936 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.246 -3.907 0.929 1.00 0.00 H new ATOM 686 N LEU A 85 -10.727 -1.823 -1.298 1.00 0.00 N ATOM 687 CA LEU A 85 -11.149 -1.167 -2.529 1.00 0.00 C ATOM 688 C LEU A 85 -12.150 -2.036 -3.302 1.00 0.00 C ATOM 689 O LEU A 85 -12.091 -3.263 -3.271 1.00 0.00 O ATOM 690 CB LEU A 85 -9.942 -0.801 -3.412 1.00 0.00 C ATOM 691 CG LEU A 85 -9.220 0.517 -3.082 1.00 0.00 C ATOM 692 CD1 LEU A 85 -8.195 0.828 -4.180 1.00 0.00 C ATOM 693 CD2 LEU A 85 -10.158 1.719 -2.936 1.00 0.00 C ATOM 0 H LEU A 85 -9.718 -1.941 -1.210 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.651 -0.240 -2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.216 -1.612 -3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.279 -0.754 -4.447 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.741 0.365 -2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.683 1.762 -3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.466 0.019 -4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.706 0.924 -5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.574 2.610 -2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.700 1.873 -3.869 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.868 1.531 -2.131 1.00 0.00 H new ATOM 694 N LYS A 86 -13.079 -1.374 -3.997 1.00 0.00 N ATOM 695 CA LYS A 86 -14.138 -2.022 -4.761 1.00 0.00 C ATOM 696 C LYS A 86 -14.388 -1.377 -6.129 1.00 0.00 C ATOM 697 O LYS A 86 -14.901 -2.047 -7.019 1.00 0.00 O ATOM 698 CB LYS A 86 -15.428 -2.026 -3.926 1.00 0.00 C ATOM 699 CG LYS A 86 -15.697 -3.373 -3.239 1.00 0.00 C ATOM 700 CD LYS A 86 -15.960 -4.487 -4.268 1.00 0.00 C ATOM 701 CE LYS A 86 -16.804 -5.617 -3.660 1.00 0.00 C ATOM 702 NZ LYS A 86 -17.042 -6.709 -4.629 1.00 0.00 N ATOM 0 H LYS A 86 -13.113 -0.356 -4.043 1.00 0.00 H new ATOM 0 HA LYS A 86 -13.812 -3.041 -4.968 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -15.366 -1.245 -3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -16.272 -1.779 -4.570 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -14.843 -3.643 -2.618 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -16.556 -3.279 -2.575 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -16.474 -4.071 -5.134 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -15.011 -4.889 -4.623 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -16.298 -6.016 -2.781 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -17.760 -5.216 -3.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -17.615 -7.452 -4.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -17.547 -6.334 -5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.131 -7.109 -4.931 1.00 0.00 H new ATOM 703 N LYS A 87 -14.075 -0.088 -6.305 1.00 0.00 N ATOM 704 CA LYS A 87 -14.327 0.604 -7.561 1.00 0.00 C ATOM 705 C LYS A 87 -13.517 -0.031 -8.694 1.00 0.00 C ATOM 706 O LYS A 87 -14.023 -0.198 -9.801 1.00 0.00 O ATOM 707 CB LYS A 87 -13.978 2.091 -7.440 1.00 0.00 C ATOM 708 CG LYS A 87 -15.102 3.028 -6.964 1.00 0.00 C ATOM 709 CD LYS A 87 -15.121 3.374 -5.467 1.00 0.00 C ATOM 710 CE LYS A 87 -15.717 2.268 -4.581 1.00 0.00 C ATOM 711 NZ LYS A 87 -16.086 2.766 -3.238 1.00 0.00 N ATOM 0 H LYS A 87 -13.645 0.494 -5.586 1.00 0.00 H new ATOM 0 HA LYS A 87 -15.389 0.512 -7.791 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.139 2.189 -6.751 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.633 2.440 -8.413 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.032 3.958 -7.528 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.058 2.571 -7.220 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.102 3.580 -5.139 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.694 4.290 -5.323 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.599 1.851 -5.067 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.996 1.457 -4.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -16.483 1.986 -2.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.240 3.140 -2.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.794 3.522 -3.331 1.00 0.00 H new ATOM 712 N GLU A 88 -12.225 -0.276 -8.446 1.00 0.00 N ATOM 713 CA GLU A 88 -11.239 -0.836 -9.372 1.00 0.00 C ATOM 714 C GLU A 88 -10.759 0.218 -10.381 1.00 0.00 C ATOM 715 O GLU A 88 -9.571 0.332 -10.697 1.00 0.00 O ATOM 716 CB GLU A 88 -11.769 -2.115 -10.038 1.00 0.00 C ATOM 717 CG GLU A 88 -10.603 -3.014 -10.456 1.00 0.00 C ATOM 718 CD GLU A 88 -11.079 -4.336 -11.042 1.00 0.00 C ATOM 719 OE1 GLU A 88 -12.042 -4.294 -11.834 1.00 0.00 O ATOM 720 OE2 GLU A 88 -10.439 -5.356 -10.694 1.00 0.00 O ATOM 0 H GLU A 88 -11.816 -0.075 -7.534 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.359 -1.131 -8.801 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.421 -2.650 -9.348 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.370 -1.858 -10.910 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.989 -2.493 -11.191 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.968 -3.209 -9.591 1.00 0.00 H new ATOM 721 N LYS A 89 -11.712 1.028 -10.835 1.00 0.00 N ATOM 722 CA LYS A 89 -11.520 2.226 -11.629 1.00 0.00 C ATOM 723 C LYS A 89 -10.577 3.198 -10.912 1.00 0.00 C ATOM 724 O LYS A 89 -9.728 3.813 -11.552 1.00 0.00 O ATOM 725 CB LYS A 89 -12.880 2.833 -11.960 1.00 0.00 C ATOM 726 CG LYS A 89 -13.510 2.229 -13.233 1.00 0.00 C ATOM 727 CD LYS A 89 -13.819 0.723 -13.115 1.00 0.00 C ATOM 728 CE LYS A 89 -14.247 0.066 -14.437 1.00 0.00 C ATOM 729 NZ LYS A 89 -15.500 0.621 -14.987 1.00 0.00 N ATOM 0 H LYS A 89 -12.698 0.849 -10.643 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.036 1.982 -12.575 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.556 2.681 -11.118 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.770 3.910 -12.090 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.432 2.764 -13.460 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.834 2.388 -14.073 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.935 0.210 -12.736 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -14.610 0.582 -12.378 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.450 0.190 -15.171 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.371 -1.005 -14.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -15.733 0.136 -15.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -16.271 0.480 -14.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.379 1.638 -15.168 1.00 0.00 H new ATOM 730 N ASP A 90 -10.689 3.296 -9.587 1.00 0.00 N ATOM 731 CA ASP A 90 -9.656 3.854 -8.732 1.00 0.00 C ATOM 732 C ASP A 90 -8.375 3.038 -8.827 1.00 0.00 C ATOM 733 O ASP A 90 -7.328 3.561 -9.192 1.00 0.00 O ATOM 734 CB ASP A 90 -10.106 3.835 -7.256 1.00 0.00 C ATOM 735 CG ASP A 90 -11.395 4.545 -6.869 1.00 0.00 C ATOM 736 OD1 ASP A 90 -12.308 4.618 -7.716 1.00 0.00 O ATOM 737 OD2 ASP A 90 -11.483 4.916 -5.673 1.00 0.00 O ATOM 0 H ASP A 90 -11.515 2.984 -9.076 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.479 4.876 -9.067 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.201 2.792 -6.954 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.301 4.266 -6.661 1.00 0.00 H new ATOM 738 N ARG A 91 -8.456 1.772 -8.418 1.00 0.00 N ATOM 739 CA ARG A 91 -7.317 0.913 -8.136 1.00 0.00 C ATOM 740 C ARG A 91 -6.272 0.982 -9.238 1.00 0.00 C ATOM 741 O ARG A 91 -5.102 1.191 -8.950 1.00 0.00 O ATOM 742 CB ARG A 91 -7.801 -0.517 -7.922 1.00 0.00 C ATOM 743 CG ARG A 91 -6.751 -1.397 -7.255 1.00 0.00 C ATOM 744 CD ARG A 91 -7.251 -2.841 -7.207 1.00 0.00 C ATOM 745 NE ARG A 91 -7.109 -3.495 -8.518 1.00 0.00 N ATOM 746 CZ ARG A 91 -7.756 -4.614 -8.879 1.00 0.00 C ATOM 747 NH1 ARG A 91 -8.196 -5.466 -7.947 1.00 0.00 N ATOM 748 NH2 ARG A 91 -7.953 -4.872 -10.170 1.00 0.00 N ATOM 0 H ARG A 91 -9.350 1.304 -8.270 1.00 0.00 H new ATOM 0 HA ARG A 91 -6.833 1.266 -7.225 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.702 -0.504 -7.308 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.076 -0.951 -8.883 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.813 -1.344 -7.807 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -6.548 -1.038 -6.246 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.690 -3.398 -6.457 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.297 -2.857 -6.901 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.477 -3.070 -9.197 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -8.040 -5.266 -6.959 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.687 -6.316 -8.224 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.613 -4.221 -10.878 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.444 -5.721 -10.451 1.00 0.00 H new ATOM 749 N ASN A 92 -6.676 0.806 -10.492 1.00 0.00 N ATOM 750 CA ASN A 92 -5.724 0.902 -11.596 1.00 0.00 C ATOM 751 C ASN A 92 -4.973 2.239 -11.591 1.00 0.00 C ATOM 752 O ASN A 92 -3.744 2.247 -11.719 1.00 0.00 O ATOM 753 CB ASN A 92 -6.379 0.630 -12.953 1.00 0.00 C ATOM 754 CG ASN A 92 -7.277 1.766 -13.409 1.00 0.00 C ATOM 755 OD1 ASN A 92 -6.902 2.572 -14.250 1.00 0.00 O ATOM 756 ND2 ASN A 92 -8.464 1.852 -12.826 1.00 0.00 N ATOM 0 H ASN A 92 -7.636 0.600 -10.767 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.986 0.116 -11.437 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -5.603 0.464 -13.700 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -6.964 -0.288 -12.892 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.100 2.609 -13.074 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.741 1.161 -12.129 1.00 0.00 H new ATOM 757 N ASP A 93 -5.681 3.364 -11.419 1.00 0.00 N ATOM 758 CA ASP A 93 -5.012 4.663 -11.446 1.00 0.00 C ATOM 759 C ASP A 93 -4.121 4.786 -10.218 1.00 0.00 C ATOM 760 O ASP A 93 -2.936 5.092 -10.323 1.00 0.00 O ATOM 761 CB ASP A 93 -6.014 5.816 -11.492 1.00 0.00 C ATOM 762 CG ASP A 93 -6.548 6.127 -12.880 1.00 0.00 C ATOM 763 OD1 ASP A 93 -5.764 6.080 -13.854 1.00 0.00 O ATOM 764 OD2 ASP A 93 -7.737 6.504 -12.937 1.00 0.00 O ATOM 0 H ASP A 93 -6.689 3.399 -11.264 1.00 0.00 H new ATOM 0 HA ASP A 93 -4.410 4.724 -12.353 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.853 5.579 -10.838 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.539 6.711 -11.090 1.00 0.00 H new ATOM 765 N LEU A 94 -4.703 4.537 -9.046 1.00 0.00 N ATOM 766 CA LEU A 94 -4.028 4.551 -7.761 1.00 0.00 C ATOM 767 C LEU A 94 -2.721 3.754 -7.833 1.00 0.00 C ATOM 768 O LEU A 94 -1.661 4.328 -7.606 1.00 0.00 O ATOM 769 CB LEU A 94 -5.029 4.073 -6.699 1.00 0.00 C ATOM 770 CG LEU A 94 -4.551 3.980 -5.238 1.00 0.00 C ATOM 771 CD1 LEU A 94 -3.380 4.884 -4.846 1.00 0.00 C ATOM 772 CD2 LEU A 94 -5.706 4.383 -4.324 1.00 0.00 C ATOM 0 H LEU A 94 -5.695 4.312 -8.969 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.713 5.554 -7.474 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.888 4.743 -6.726 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.384 3.086 -6.997 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.211 2.950 -5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.136 4.728 -3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.512 4.642 -5.460 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.657 5.926 -5.004 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.385 4.323 -3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.010 5.405 -4.551 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.548 3.710 -4.483 1.00 0.00 H new ATOM 773 N ILE A 95 -2.758 2.467 -8.187 1.00 0.00 N ATOM 774 CA ILE A 95 -1.552 1.661 -8.314 1.00 0.00 C ATOM 775 C ILE A 95 -0.549 2.324 -9.258 1.00 0.00 C ATOM 776 O ILE A 95 0.621 2.443 -8.902 1.00 0.00 O ATOM 777 CB ILE A 95 -1.889 0.224 -8.737 1.00 0.00 C ATOM 778 CG1 ILE A 95 -2.749 -0.460 -7.651 1.00 0.00 C ATOM 779 CG2 ILE A 95 -0.574 -0.552 -8.940 1.00 0.00 C ATOM 780 CD1 ILE A 95 -3.318 -1.779 -8.159 1.00 0.00 C ATOM 0 H ILE A 95 -3.620 1.962 -8.391 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.076 1.599 -7.335 1.00 0.00 H new ATOM 0 HB ILE A 95 -2.457 0.236 -9.667 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.145 -0.639 -6.762 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.563 0.202 -7.355 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.798 -1.575 -9.241 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.019 -0.067 -9.716 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.011 -0.563 -8.007 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.920 -2.241 -7.376 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -3.941 -1.594 -9.034 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.501 -2.447 -8.431 1.00 0.00 H new ATOM 781 N THR A 96 -0.982 2.760 -10.445 1.00 0.00 N ATOM 782 CA THR A 96 -0.083 3.408 -11.396 1.00 0.00 C ATOM 783 C THR A 96 0.619 4.609 -10.756 1.00 0.00 C ATOM 784 O THR A 96 1.845 4.728 -10.801 1.00 0.00 O ATOM 785 CB THR A 96 -0.863 3.822 -12.647 1.00 0.00 C ATOM 786 OG1 THR A 96 -1.464 2.669 -13.200 1.00 0.00 O ATOM 787 CG2 THR A 96 0.062 4.475 -13.676 1.00 0.00 C ATOM 0 H THR A 96 -1.946 2.675 -10.766 1.00 0.00 H new ATOM 0 HA THR A 96 0.691 2.699 -11.689 1.00 0.00 H new ATOM 0 HB THR A 96 -1.625 4.552 -12.374 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.341 2.527 -12.787 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.516 4.760 -14.555 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.522 5.362 -13.241 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.840 3.769 -13.966 1.00 0.00 H new ATOM 788 N TYR A 97 -0.163 5.503 -10.154 1.00 0.00 N ATOM 789 CA TYR A 97 0.373 6.644 -9.443 1.00 0.00 C ATOM 790 C TYR A 97 1.377 6.175 -8.393 1.00 0.00 C ATOM 791 O TYR A 97 2.484 6.700 -8.335 1.00 0.00 O ATOM 792 CB TYR A 97 -0.757 7.442 -8.788 1.00 0.00 C ATOM 793 CG TYR A 97 -0.281 8.342 -7.666 1.00 0.00 C ATOM 794 CD1 TYR A 97 0.458 9.502 -7.960 1.00 0.00 C ATOM 795 CD2 TYR A 97 -0.374 7.893 -6.336 1.00 0.00 C ATOM 796 CE1 TYR A 97 1.016 10.262 -6.917 1.00 0.00 C ATOM 797 CE2 TYR A 97 0.265 8.603 -5.308 1.00 0.00 C ATOM 798 CZ TYR A 97 0.912 9.815 -5.590 1.00 0.00 C ATOM 799 OH TYR A 97 1.397 10.578 -4.572 1.00 0.00 O ATOM 0 H TYR A 97 -1.182 5.450 -10.150 1.00 0.00 H new ATOM 0 HA TYR A 97 0.885 7.295 -10.151 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.251 8.049 -9.547 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -1.503 6.750 -8.398 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.597 9.809 -8.986 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.938 7.001 -6.106 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.524 11.189 -7.136 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.259 8.216 -4.300 1.00 0.00 H new ATOM 0 HH TYR A 97 1.243 10.121 -3.719 1.00 0.00 H new ATOM 800 N LEU A 98 0.984 5.214 -7.553 1.00 0.00 N ATOM 801 CA LEU A 98 1.803 4.751 -6.444 1.00 0.00 C ATOM 802 C LEU A 98 3.141 4.265 -6.977 1.00 0.00 C ATOM 803 O LEU A 98 4.193 4.668 -6.495 1.00 0.00 O ATOM 804 CB LEU A 98 1.099 3.623 -5.674 1.00 0.00 C ATOM 805 CG LEU A 98 1.164 3.834 -4.153 1.00 0.00 C ATOM 806 CD1 LEU A 98 -0.175 4.405 -3.724 1.00 0.00 C ATOM 807 CD2 LEU A 98 1.383 2.542 -3.367 1.00 0.00 C ATOM 0 H LEU A 98 0.085 4.738 -7.628 1.00 0.00 H new ATOM 0 HA LEU A 98 1.962 5.580 -5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.057 3.566 -5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.561 2.669 -5.927 1.00 0.00 H new ATOM 0 HG LEU A 98 2.009 4.490 -3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.172 4.571 -2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.348 5.352 -4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.969 3.704 -3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.418 2.766 -2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.563 1.852 -3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.324 2.085 -3.673 1.00 0.00 H new ATOM 808 N LYS A 99 3.087 3.406 -7.993 1.00 0.00 N ATOM 809 CA LYS A 99 4.243 2.909 -8.702 1.00 0.00 C ATOM 810 C LYS A 99 5.156 4.051 -9.126 1.00 0.00 C ATOM 811 O LYS A 99 6.362 3.978 -8.896 1.00 0.00 O ATOM 812 CB LYS A 99 3.789 2.051 -9.885 1.00 0.00 C ATOM 813 CG LYS A 99 5.014 1.560 -10.663 1.00 0.00 C ATOM 814 CD LYS A 99 4.603 0.343 -11.490 1.00 0.00 C ATOM 815 CE LYS A 99 5.743 -0.234 -12.342 1.00 0.00 C ATOM 816 NZ LYS A 99 5.288 -1.431 -13.080 1.00 0.00 N ATOM 0 H LYS A 99 2.207 3.031 -8.349 1.00 0.00 H new ATOM 0 HA LYS A 99 4.832 2.277 -8.038 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.207 1.201 -9.529 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.138 2.631 -10.539 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.393 2.350 -11.312 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.819 1.298 -9.977 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.233 -0.433 -10.820 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.776 0.621 -12.144 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.096 0.520 -13.045 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.587 -0.494 -11.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.862 -1.548 -13.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.392 -2.271 -12.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.289 -1.317 -13.344 1.00 0.00 H new ATOM 817 N LYS A 100 4.606 5.098 -9.741 1.00 0.00 N ATOM 818 CA LYS A 100 5.430 6.203 -10.181 1.00 0.00 C ATOM 819 C LYS A 100 6.047 6.901 -8.970 1.00 0.00 C ATOM 820 O LYS A 100 7.259 7.070 -8.892 1.00 0.00 O ATOM 821 CB LYS A 100 4.593 7.165 -11.030 1.00 0.00 C ATOM 822 CG LYS A 100 5.446 7.786 -12.139 1.00 0.00 C ATOM 823 CD LYS A 100 6.537 8.736 -11.600 1.00 0.00 C ATOM 824 CE LYS A 100 7.941 8.103 -11.632 1.00 0.00 C ATOM 825 NZ LYS A 100 8.898 8.742 -10.703 1.00 0.00 N ATOM 0 H LYS A 100 3.610 5.196 -9.939 1.00 0.00 H new ATOM 0 HA LYS A 100 6.246 5.835 -10.803 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.749 6.632 -11.468 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.180 7.951 -10.398 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.917 6.990 -12.716 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.799 8.335 -12.823 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.541 9.651 -12.192 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.293 9.020 -10.576 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.859 7.044 -11.385 1.00 0.00 H new ATOM 0 HE3 LYS A 100 8.335 8.164 -12.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.868 8.479 -10.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 8.793 9.775 -10.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.706 8.422 -9.732 1.00 0.00 H new ATOM 826 N ALA A 101 5.186 7.300 -8.037 1.00 0.00 N ATOM 827 CA ALA A 101 5.523 8.007 -6.806 1.00 0.00 C ATOM 828 C ALA A 101 6.523 7.233 -5.939 1.00 0.00 C ATOM 829 O ALA A 101 7.231 7.822 -5.126 1.00 0.00 O ATOM 830 CB ALA A 101 4.230 8.275 -6.034 1.00 0.00 C ATOM 0 H ALA A 101 4.184 7.130 -8.124 1.00 0.00 H new ATOM 0 HA ALA A 101 6.012 8.946 -7.067 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.461 8.804 -5.109 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.562 8.884 -6.643 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.744 7.328 -5.799 1.00 0.00 H new ATOM 831 N SER A 102 6.570 5.911 -6.111 1.00 0.00 N ATOM 832 CA SER A 102 7.554 5.031 -5.506 1.00 0.00 C ATOM 833 C SER A 102 8.978 5.516 -5.806 1.00 0.00 C ATOM 834 O SER A 102 9.871 5.307 -4.988 1.00 0.00 O ATOM 835 CB SER A 102 7.346 3.603 -6.034 1.00 0.00 C ATOM 836 OG SER A 102 7.766 2.633 -5.097 1.00 0.00 O ATOM 0 H SER A 102 5.899 5.413 -6.696 1.00 0.00 H new ATOM 0 HA SER A 102 7.423 5.039 -4.424 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.292 3.451 -6.267 1.00 0.00 H new ATOM 0 HB3 SER A 102 7.900 3.475 -6.964 1.00 0.00 H new ATOM 0 HG SER A 102 7.618 1.737 -5.465 1.00 0.00 H new ATOM 837 N GLU A 103 9.172 6.111 -6.990 1.00 0.00 N ATOM 838 CA GLU A 103 10.379 6.751 -7.458 1.00 0.00 C ATOM 839 C GLU A 103 10.175 8.270 -7.364 1.00 0.00 C ATOM 840 O GLU A 103 9.397 8.796 -8.196 1.00 0.00 O ATOM 841 CB GLU A 103 10.580 6.275 -8.904 1.00 0.00 C ATOM 842 CG GLU A 103 11.827 6.822 -9.600 1.00 0.00 C ATOM 843 CD GLU A 103 11.718 6.654 -11.106 1.00 0.00 C ATOM 844 OE1 GLU A 103 10.955 7.461 -11.688 1.00 0.00 O ATOM 845 OE2 GLU A 103 12.350 5.721 -11.640 1.00 0.00 O ATOM 846 OXT GLU A 103 10.796 8.886 -6.473 1.00 0.00 O ATOM 0 H GLU A 103 8.428 6.153 -7.686 1.00 0.00 H new ATOM 0 HA GLU A 103 11.263 6.502 -6.871 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.629 5.186 -8.908 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.704 6.557 -9.488 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.953 7.877 -9.355 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.712 6.301 -9.234 1.00 0.00 H new